data_2crf_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 2crf _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.817 0.341 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -112.89 93.71 4.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.2 t -55.16 -74.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 pp -139.57 135.7 33.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -123.3 132.11 53.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.944 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.467 ' HE3' ' CB ' ' A' ' 120' ' ' ALA . 0.0 OUTLIER -159.2 147.99 18.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -69.45 125.64 27.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.9 t -143.81 179.52 7.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.45 ' HG2' ' CB ' ' A' ' 51' ' ' ARG . 29.8 mtmt -127.6 150.74 49.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.8 tp -116.98 142.87 46.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -144.03 141.74 30.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.568 ' CG1' ' CE1' ' A' ' 116' ' ' PHE . 0.4 OUTLIER -124.97 147.93 29.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.521 ' CZ ' ' HA ' ' A' ' 44' ' ' GLN . 46.6 t80 -92.53 106.46 18.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 42' ' ' THR . 22.9 t0 -94.41 104.1 16.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.794 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 40' ' ' ASP . 0.5 OUTLIER -37.69 -29.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.466 ' N ' ' O ' ' A' ' 40' ' ' ASP . 59.2 m -57.94 -47.95 81.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.3 m -95.39 -22.18 17.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.521 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 1.4 mm-40 67.37 32.66 5.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.2 t -158.19 -178.41 7.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 62.0 m95 -76.6 121.99 23.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.1 t -109.53 138.65 36.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.055 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -60.42 117.12 4.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.461 ' NE ' ' HA ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -104.83 -51.68 3.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -175.65 126.38 1.15 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.469 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.45 ' CB ' ' HG2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -115.21 134.04 55.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.908 0.385 . . . . 0.0 110.834 -179.857 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.464 ' N ' ' HE2' ' A' ' 73' ' ' MET . . . 178.62 -132.33 1.89 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.493 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 53.8 tp -99.36 149.27 23.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.816 0.341 . . . . 0.0 110.914 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.4 tp -138.48 131.89 30.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.96 152.52 33.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.455 HD21 ' NE ' ' A' ' 135' ' ' ARG . 2.6 tp -98.05 112.66 24.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -96.51 133.51 40.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.42 125.66 38.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.498 ' O ' ' N ' ' A' ' 68' ' ' GLN . 21.4 ptt? -124.64 159.71 30.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.812 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.3 146.07 26.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.074 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.452 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -83.99 157.01 22.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.809 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.88 -56.11 2.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -81.19 -14.24 57.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.23 -20.76 10.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.797 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.452 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 55.52 12.27 4.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.443 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.7 t -98.37 174.76 6.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.798 0.332 . . . . 0.0 111.17 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -68.39 99.38 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 59' ' ' MET . 6.0 mm-40 -88.04 165.83 14.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.7 m -142.94 162.25 35.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -152.74 170.99 18.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.5 mt -109.31 116.1 31.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.95 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.2 t -118.32 147.02 22.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.091 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.464 ' HE2' ' N ' ' A' ' 52' ' ' GLY . 8.8 tpt -147.54 107.84 4.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.825 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.43 ' NH1' ' O ' ' A' ' 79' ' ' LEU . 44.6 mtt-85 -98.68 136.47 38.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 46.1 p -70.13 168.16 16.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.184 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.467 ' CD ' ' N ' ' A' ' 77' ' ' GLY . 3.7 pp0? -81.29 -29.04 34.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.467 ' N ' ' CD ' ' A' ' 76' ' ' GLN . . . -63.43 -99.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 80' ' ' ARG . 3.6 m -97.32 39.69 1.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.898 0.38 . . . . 0.0 110.866 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.43 ' O ' ' NH1' ' A' ' 74' ' ' ARG . 9.7 mp 36.49 30.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 78' ' ' SER . 1.5 ptp180 -65.2 144.84 56.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.402 HD11 ' N ' ' A' ' 82' ' ' ILE . 0.1 OUTLIER -92.84 129.74 38.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.402 ' N ' HD11 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -125.55 -21.08 2.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.834 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.2 tp -127.47 118.12 23.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -149.34 104.91 3.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.946 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 11.1 t -143.25 147.86 35.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.471 ' HD2' ' NE2' ' A' ' 68' ' ' GLN . 12.7 ttpt -93.57 118.66 31.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.454 ' CD2' ' HE2' ' A' ' 91' ' ' MET . 4.3 mt -55.74 153.0 8.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.836 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.586 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 48.8 p90 -137.24 155.49 49.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -47.9 -46.79 32.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.586 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 55.9 mm-40 -83.42 29.67 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.49 ' HA ' ' CE2' ' A' ' 88' ' ' TRP . 3.7 tpp -70.41 140.93 52.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.817 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -100.52 118.88 37.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.463 ' CD1' ' HB2' ' A' ' 132' ' ' LEU . 1.2 tt -153.85 118.9 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -130.3 147.41 52.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.474 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 17.0 tptm -86.91 98.02 11.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.87 -39.65 76.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 69.5 m -154.62 175.14 14.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -78.9 2.37 20.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.2 mtmm -130.25 -31.46 1.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.832 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 60.0 p -113.32 150.45 32.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.916 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.404 ' CD1' ' HB2' ' A' ' 129' ' ' TYR . 8.5 mt -139.12 149.93 23.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.194 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.474 ' CD2' ' CD1' ' A' ' 117' ' ' LEU . 9.7 m170 -113.35 104.7 12.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.1 pp -123.25 141.71 42.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 61.6 p -96.21 128.84 43.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -142.78 170.84 14.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 31.6 mtm -113.67 136.27 53.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.466 ' HB2' ' CE ' ' A' ' 114' ' ' LYS . 16.9 t70 -68.51 173.0 5.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 31.1 p -89.38 -35.89 15.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.076 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -96.33 -55.44 2.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.835 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -65.44 -24.12 67.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 46.22 35.33 2.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -116.28 145.24 18.67 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.515 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 39.4 t -79.89 117.85 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.886 0.374 . . . . 0.0 111.216 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.478 ' HG3' ' CE2' ' A' ' 116' ' ' PHE . 2.2 pttt -132.12 163.0 29.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 57.5 t -82.13 108.17 14.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.079 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.568 ' CE1' ' CG1' ' A' ' 38' ' ' VAL . 60.9 m-85 -95.99 157.59 15.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.474 ' CD1' ' CD2' ' A' ' 102' ' ' HIS . 4.2 tp -123.66 155.57 37.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 16.2 mt -134.49 106.66 8.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 34.7 t -99.83 123.05 43.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.467 ' CB ' ' HE3' ' A' ' 32' ' ' MET . . . -157.52 169.92 23.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.147 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 6.1 t -54.91 153.88 5.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.859 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 51.6 p -48.74 -26.94 2.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.844 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -87.98 -61.38 1.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.947 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -48.31 -49.13 35.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 31.4 m -49.03 -46.3 43.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -65.7 -34.99 90.44 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.483 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -60.5 -66.73 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.767 0.318 . . . . 0.0 110.89 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.454 HD22 ' CE ' ' A' ' 32' ' ' MET . 3.1 pp -49.93 -43.2 49.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.474 ' CZ ' ' HB2' ' A' ' 95' ' ' LYS . 35.9 t80 -61.19 -53.71 53.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -51.57 -19.52 1.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.126 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.404 ' CB ' HH21 ' A' ' 135' ' ' ARG . . . -85.89 -60.42 2.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.068 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.547 ' CD2' ' NH1' ' A' ' 135' ' ' ARG . 46.1 mt -39.05 -65.56 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . 0.467 ' C ' ' O ' ' A' ' 132' ' ' LEU . 2.5 t-160 -32.48 -65.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.439 ' O ' ' N ' ' A' ' 136' ' ' ILE . 75.0 t60 -47.44 -56.64 6.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.547 ' NH1' ' CD2' ' A' ' 132' ' ' LEU . 58.9 mtt180 -37.27 -31.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.469 HD12 ' N ' ' A' ' 136' ' ' ILE . 3.8 mp -92.01 -44.75 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 20.4 mt -50.8 -31.92 18.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -72.6 -29.01 63.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.055 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 3.1 mt -81.2 -46.19 15.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.884 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.458 ' HD2' ' CG2' ' A' ' 136' ' ' ILE . 4.6 mtp180 -63.2 -22.21 66.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 2.0 m -77.31 -17.07 58.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 8.3 mtt85 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.827 -179.943 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.868 0.366 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -110.29 90.7 3.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.429 HG22 ' CD2' ' A' ' 56' ' ' LEU . 6.4 t -58.68 -70.61 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.416 ' C ' HD12 ' A' ' 30' ' ' LEU . 4.5 pp -139.45 144.2 37.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -134.74 128.04 32.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -156.6 138.49 14.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -62.43 133.06 54.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 119' ' ' SER . 1.6 t -146.19 174.85 10.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 41.1 mtpt -120.99 128.45 52.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.5 tp -101.95 125.25 48.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -115.86 134.26 55.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.4 p -110.64 137.65 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.099 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -90.41 121.33 32.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 42' ' ' THR . 51.4 t0 -108.38 96.11 6.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -38.09 -27.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 40' ' ' ASP . 29.4 m -60.73 -49.01 79.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.075 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.0 m -92.83 -25.36 18.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 67.98 36.46 3.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.0 m -150.08 168.02 25.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.81 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 79.6 m95 -78.35 106.93 10.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.963 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 94.2 t -105.54 137.49 35.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.117 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.35 134.46 53.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.58 -37.52 3.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -177.76 121.55 0.78 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -116.72 141.14 48.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.909 0.385 . . . . 0.0 110.87 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.434 ' N ' ' HE2' ' A' ' 73' ' ' MET . . . 168.02 -118.53 0.79 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.546 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.3 tp -112.74 150.51 31.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.87 0.366 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.0 tp -141.69 132.18 25.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.952 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.2 152.75 33.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.429 ' CD2' HG22 ' A' ' 29' ' ' VAL . 4.7 tp -89.72 114.25 25.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -94.12 123.23 37.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.923 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -96.36 139.63 32.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.495 ' O ' ' N ' ' A' ' 68' ' ' GLN . 16.5 ptt? -147.73 160.72 42.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -91.69 145.11 24.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.462 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.7 OUTLIER -82.73 154.32 24.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.899 -179.817 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.41 -54.64 2.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.193 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -83.62 -7.26 59.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -121.53 -21.12 6.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.462 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 56.79 10.55 4.75 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.491 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.2 t -95.8 172.67 7.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.801 0.334 . . . . 0.0 111.159 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -68.87 99.72 1.09 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 59' ' ' MET . 7.3 mm-40 -84.63 169.21 14.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.9 m -157.84 163.73 37.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -149.8 171.47 16.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.8 mt -113.47 111.09 21.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.981 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.474 HG13 ' N ' ' A' ' 73' ' ' MET . 2.3 t -113.4 147.11 17.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.474 ' N ' HG13 ' A' ' 72' ' ' VAL . 13.7 tpt -148.36 105.83 3.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.9 mtt-85 -92.98 144.19 25.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.3 p -88.66 144.94 25.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -59.99 133.55 56.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 112.76 -97.01 0.86 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.485 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.2 m -88.73 17.57 5.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.35 . . . . 0.0 110.76 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.4 mp 41.07 33.94 0.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.939 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 18.6 ttt180 -61.56 138.85 58.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.42 HD11 ' ND2' ' A' ' 84' ' ' ASN . 0.2 OUTLIER -91.8 134.65 34.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.901 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.469 HG12 ' N ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -129.01 -28.03 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.469 ' N ' HG12 ' A' ' 82' ' ' ILE . 4.9 tp -121.76 128.49 51.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.955 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.483 ' OD1' ' CG2' ' A' ' 108' ' ' THR . 1.2 p30 -161.97 105.69 1.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.9 t -145.28 139.55 27.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.167 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.469 ' HD2' ' NE2' ' A' ' 68' ' ' GLN . 4.8 ttpm? -80.17 123.14 27.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.986 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.462 ' CD2' ' HE3' ' A' ' 91' ' ' MET . 21.3 mt -56.99 141.13 46.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.579 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 46.5 p90 -122.59 158.96 28.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.414 ' CB ' ' HA ' ' A' ' 140' ' ' ARG . . . -52.75 -44.55 66.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.095 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.579 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 47.7 mm-40 -84.05 32.3 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.462 ' HE3' ' CD2' ' A' ' 87' ' ' LEU . 1.3 tpp -72.37 132.01 43.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -98.4 117.11 32.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.3 tt -151.79 124.71 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -142.2 145.62 34.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.488 ' HD3' ' CD2' ' A' ' 129' ' ' TYR . 11.7 tptm -75.83 93.84 3.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.508 ' CB ' ' CD2' ' A' ' 102' ' ' HIS . . . -65.37 -29.55 70.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.099 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.9 t -162.54 174.21 12.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.445 ' CG ' ' HB2' ' A' ' 122' ' ' SER . 5.2 tt0 -73.27 -23.0 60.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -122.3 15.4 10.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.965 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.4 m -151.01 140.74 21.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 5.8 mt -131.19 151.87 36.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.167 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.583 ' CD2' ' CD1' ' A' ' 117' ' ' LEU . 10.7 m170 -118.0 103.58 10.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.819 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.6 pp -122.7 144.84 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 31.4 p -97.44 126.23 42.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.098 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -140.58 159.0 43.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 27.8 mtt -85.91 157.83 20.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -100.71 153.37 19.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.483 ' CG2' ' OD1' ' A' ' 84' ' ' ASN . 40.9 p -76.97 -34.95 57.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.219 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -99.33 -56.31 2.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -64.34 -13.02 47.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 39.41 35.99 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.951 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -130.52 153.94 20.43 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.446 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 61.6 t -86.57 119.84 35.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.938 0.399 . . . . 0.0 111.097 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 9.9 ptpt -127.79 175.18 8.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 72.7 t -96.04 108.98 21.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.166 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -96.88 174.37 6.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.583 ' CD1' ' CD2' ' A' ' 102' ' ' HIS . 3.7 tp -134.12 157.16 46.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 5.9 mt -134.25 99.14 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.094 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.404 ' O ' ' SG ' ' A' ' 34' ' ' CYS . 26.6 t -93.87 121.47 35.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -156.82 174.35 15.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 123' ' ' LYS . 6.5 t -60.16 141.41 55.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.817 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.445 ' HB2' ' CG ' ' A' ' 98' ' ' GLU . 53.2 p -41.13 -26.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.822 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 121' ' ' SER . 0.8 OUTLIER -83.47 -61.0 1.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -53.83 -51.36 63.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.878 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 99.8 m -43.19 -40.9 3.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.169 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -75.91 -30.8 57.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.476 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -60.98 -69.25 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.883 0.373 . . . . 0.0 110.951 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.472 ' HG ' ' N ' ' A' ' 129' ' ' TYR . 1.3 pt? -54.27 -38.63 66.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.939 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.488 ' CD2' ' HD3' ' A' ' 95' ' ' LYS . 22.9 t80 -55.57 -59.83 4.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -50.55 -35.08 28.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.134 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 132' ' ' LEU . . . -64.88 -70.19 0.24 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.469 ' O ' ' C ' ' A' ' 133' ' ' HIS . 6.9 mp -37.91 -70.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.945 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . 0.469 ' C ' ' O ' ' A' ' 132' ' ' LEU . 11.1 t-80 -32.75 -68.52 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.478 ' HA ' ' CD1' ' A' ' 137' ' ' LEU . 5.1 t60 -43.33 -59.76 1.97 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.406 ' N ' ' CD2' ' A' ' 134' ' ' HIS . 11.6 mmt180 -40.07 -37.88 0.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.503 ' O ' ' N ' ' A' ' 139' ' ' LEU . 3.1 mm -72.32 -51.35 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.083 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.509 ' HA ' ' CG ' ' A' ' 140' ' ' ARG . 40.7 mt -37.7 -31.39 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 136' ' ' ILE . . . -70.16 -43.26 71.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.104 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 136' ' ' ILE . 2.3 mt -74.66 -53.98 8.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.509 ' CG ' ' HA ' ' A' ' 137' ' ' LEU . 7.1 ptp180 -58.57 -11.2 2.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 31.3 t -88.75 -18.7 27.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 38.0 mtp85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.879 -179.928 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.933 0.397 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -108.02 118.54 37.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.417 ' CG2' ' N ' ' A' ' 30' ' ' LEU . 1.8 m -94.74 -39.15 9.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.142 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.417 ' N ' ' CG2' ' A' ' 29' ' ' VAL . 2.8 pp -156.73 137.79 13.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.97 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.468 ' CG ' HD11 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -131.73 147.44 52.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.435 ' N ' ' HG2' ' A' ' 31' ' ' GLN . 3.4 ptt? -169.19 129.35 1.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -61.39 117.05 5.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.982 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.413 ' SG ' ' CG2' ' A' ' 118' ' ' ILE . 2.6 t -136.14 174.03 11.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.454 ' HG3' ' CB ' ' A' ' 51' ' ' ARG . 26.9 tttt -113.44 149.34 34.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 tp -119.39 137.28 53.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.437 ' CE1' ' HE2' ' A' ' 35' ' ' LYS . 83.5 m-85 -132.1 162.25 31.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.784 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.607 ' CG1' ' CE1' ' A' ' 116' ' ' PHE . 2.5 m -146.35 138.0 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.135 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.562 ' CZ ' ' C ' ' A' ' 44' ' ' GLN . 20.2 t80 -82.99 110.7 18.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 42' ' ' THR . 36.4 t0 -100.11 104.63 16.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.488 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -33.87 -35.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.949 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 40' ' ' ASP . 19.5 m -54.81 -50.77 67.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 40' ' ' ASP . 17.4 m -89.51 -24.76 21.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.562 ' C ' ' CZ ' ' A' ' 39' ' ' PHE . 1.3 mm-40 69.37 25.7 5.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.9 t -155.36 -177.14 6.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 76.7 m95 -73.0 137.54 45.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.972 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.404 HG12 ' N ' ' A' ' 48' ' ' GLU . 98.9 t -130.0 144.58 37.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.074 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.404 ' N ' HG12 ' A' ' 47' ' ' VAL . 64.7 tt0 -68.68 113.88 6.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.801 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.69 -56.77 2.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -164.86 121.26 0.99 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.477 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.454 ' CB ' ' HG3' ' A' ' 35' ' ' LYS . 23.2 ptt180 -113.32 151.96 30.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.931 0.396 . . . . 0.0 110.835 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.412 ' C ' ' HE1' ' A' ' 73' ' ' MET . . . 161.07 -130.26 2.31 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.491 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.468 HD11 ' CG ' ' A' ' 31' ' ' GLN . 50.1 tp -97.88 132.17 43.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.824 0.345 . . . . 0.0 110.874 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.468 HD22 ' CG ' ' A' ' 128' ' ' LEU . 4.6 tp -122.19 130.52 53.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -151.15 151.7 32.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.821 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.455 HD12 ' CZ ' ' A' ' 135' ' ' ARG . 4.4 tp -90.07 139.44 30.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.44 ' C ' ' OD1' ' A' ' 57' ' ' ASN . 22.5 t-20 -116.42 121.06 40.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -95.19 131.25 41.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.5 ' O ' ' N ' ' A' ' 68' ' ' GLN . 20.4 ptt? -137.15 160.67 38.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.797 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -89.76 145.06 25.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.062 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.461 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -83.01 153.38 24.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.8 -179.776 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.27 -58.89 1.86 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.177 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -79.62 -7.47 58.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -119.75 -24.77 6.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.461 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 60.56 7.42 7.71 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.534 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.8 t -91.96 174.69 7.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 0.0 111.169 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -71.67 99.84 2.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 59' ' ' MET . 7.9 mm-40 -85.59 169.72 13.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.4 m -154.9 168.3 27.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -155.85 165.94 34.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.0 mt -107.04 118.32 36.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.472 HG11 ' N ' ' A' ' 73' ' ' MET . 2.2 t -117.61 147.24 21.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.472 ' N ' HG11 ' A' ' 72' ' ' VAL . 6.8 tpt -144.1 115.74 8.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 53' ' ' LEU . 97.6 mtt180 -103.05 134.08 47.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.2 p -76.48 158.47 31.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -82.78 -37.2 24.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -54.38 -31.93 51.51 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.455 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.7 m -172.26 164.74 5.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.923 0.392 . . . . 0.0 110.878 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -74.07 62.31 0.89 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 17.3 ttt180 -114.55 137.94 51.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -93.58 137.38 32.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.468 ' N ' HD12 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -127.61 -27.07 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.829 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.459 ' N ' HG12 ' A' ' 82' ' ' ILE . 3.1 tp -126.05 114.79 18.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -147.55 105.06 3.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.3 t -146.38 144.93 30.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.111 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.455 ' HG3' ' CE ' ' A' ' 59' ' ' MET . 10.5 ttpt -88.22 121.36 30.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.504 ' CD2' ' CE ' ' A' ' 91' ' ' MET . 6.8 mt -56.92 159.55 4.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.935 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.565 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 42.5 p90 -141.51 158.86 43.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.969 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.98 -45.23 64.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.565 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 50.7 mm-40 -84.37 31.95 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.504 ' CE ' ' CD2' ' A' ' 87' ' ' LEU . 6.2 tpp -70.85 139.63 50.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -97.58 111.66 23.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.5 tt -148.02 127.49 4.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.183 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -141.07 145.61 36.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.9 tptm -82.4 98.22 8.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.0 -28.39 63.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.4 t -169.78 170.23 7.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.876 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -75.28 -2.91 30.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -132.94 16.58 4.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 83.7 p -160.36 140.58 11.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 102' ' ' HIS . 9.1 mt -130.48 144.66 37.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.169 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.531 ' CD2' ' CD1' ' A' ' 117' ' ' LEU . 13.0 m170 -109.57 103.54 12.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.1 pp -120.42 151.02 23.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 38.0 p -106.12 124.96 50.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.139 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -140.52 167.67 21.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.202 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 14.3 mtt -100.36 159.16 15.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.852 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -96.82 164.06 12.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 66.3 p -86.85 -36.76 18.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.229 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -100.6 -38.55 8.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.8 -26.57 44.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 49.33 44.62 23.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -136.55 141.94 13.04 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 31.2 t -77.49 108.7 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.854 0.359 . . . . 0.0 111.171 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.471 ' HG3' ' CE2' ' A' ' 116' ' ' PHE . 3.3 ptpt -119.23 162.81 18.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 48.6 t -81.76 106.96 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.607 ' CE1' ' CG1' ' A' ' 38' ' ' VAL . 64.0 m-85 -96.21 149.24 21.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.531 ' CD1' ' CD2' ' A' ' 102' ' ' HIS . 5.0 tp -116.37 155.02 29.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.413 ' CG2' ' SG ' ' A' ' 34' ' ' CYS . 36.9 mt -128.73 98.78 4.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 31.5 t -88.67 108.8 19.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.862 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -144.5 169.06 18.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 19.0 t -63.47 161.07 15.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.4 p -49.59 -42.51 44.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -71.86 -61.59 1.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 127' ' ' GLN . 3.9 m-20 -50.18 -60.27 3.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.88 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 124' ' ' ASP . 87.4 m -35.66 -42.07 0.23 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.169 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -63.26 -41.47 99.56 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.417 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' A' ' 124' ' ' ASP . 1.7 mm-40 -50.64 -61.73 2.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.816 0.341 . . . . 0.0 110.884 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.468 ' CG ' HD22 ' A' ' 54' ' ' LEU . 0.4 OUTLIER -50.58 -70.32 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -37.44 -63.13 0.47 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.99 -44.24 4.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.148 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.401 ' CB ' HH21 ' A' ' 135' ' ' ARG . . . -68.31 -62.5 1.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.114 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.488 ' O ' ' CD1' ' A' ' 136' ' ' ILE . 4.0 mp -38.19 -67.26 0.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . 0.452 ' C ' ' O ' ' A' ' 132' ' ' LEU . 4.1 t-160 -34.01 -62.53 0.31 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.446 ' HA ' ' CD1' ' A' ' 137' ' ' LEU . 26.5 t60 -48.65 -54.6 14.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.463 ' HD2' ' CD1' ' A' ' 87' ' ' LEU . 53.0 mtt180 -41.04 -27.59 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.488 ' CD1' ' O ' ' A' ' 132' ' ' LEU . 3.5 mp -94.07 -45.36 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.472 ' HA ' ' CG ' ' A' ' 140' ' ' ARG . 13.6 mt -50.01 -35.68 25.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.412 ' O ' ' CG ' ' A' ' 142' ' ' ARG . . . -66.43 -26.29 67.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.01 -56.77 3.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.472 ' CG ' ' HA ' ' A' ' 137' ' ' LEU . 4.3 ptp180 -57.57 -23.24 49.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 41.9 t -74.18 -28.73 61.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.833 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . 0.432 ' NH1' ' HB3' ' A' ' 142' ' ' ARG . 1.8 mtp-105 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.5 t . . . . . 0 C--O 1.23 0.039 0 CA-C-O 120.915 0.388 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -119.8 107.57 13.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.484 HG12 ' N ' ' A' ' 30' ' ' LEU . 7.4 p -92.37 -32.74 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.484 ' N ' HG12 ' A' ' 29' ' ' VAL . 1.2 pp -165.36 134.15 3.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.83 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.48 ' CG ' HD11 ' A' ' 53' ' ' LEU . 16.2 tt0 -132.71 136.62 46.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.466 ' CE ' HD23 ' A' ' 128' ' ' LEU . 4.0 ptt? -161.32 138.64 8.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -70.75 116.83 11.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.45 ' SG ' ' CG2' ' A' ' 118' ' ' ILE . 1.8 t -130.65 179.43 5.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.442 ' CD ' ' CZ ' ' A' ' 37' ' ' PHE . 17.7 ttmt -113.59 144.64 42.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.8 tp -123.26 123.83 41.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.442 ' CZ ' ' CD ' ' A' ' 35' ' ' LYS . 69.1 m-85 -115.87 156.17 26.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.449 ' CG2' ' HD3' ' A' ' 114' ' ' LYS . 3.0 p -139.87 135.47 38.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.44 ' CZ ' ' HA ' ' A' ' 44' ' ' GLN . 28.7 t80 -65.07 136.48 56.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.417 ' C ' ' N ' ' A' ' 42' ' ' THR . 9.9 t0 -125.3 102.0 7.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.912 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.3 -22.83 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.417 ' N ' ' C ' ' A' ' 40' ' ' ASP . 26.0 m -56.39 -50.01 72.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 44' ' ' GLN . 14.3 m -118.97 20.51 12.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.44 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 1.4 mm-40 36.86 43.03 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.965 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.6 t -150.37 174.41 12.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 54.3 m95 -75.72 138.9 41.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 66.5 t -130.51 143.2 41.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -55.5 116.66 3.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.86 -51.75 3.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -170.34 103.16 0.19 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.526 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -103.36 137.94 40.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.844 0.355 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.558 ' N ' ' CE ' ' A' ' 73' ' ' MET . . . 167.28 -136.62 4.21 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.464 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.48 HD11 ' CG ' ' A' ' 31' ' ' GLN . 18.3 tp -83.34 135.06 34.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.895 0.379 . . . . 0.0 110.951 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.7 tp -132.36 134.08 44.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.4 ptt180 -151.21 155.07 38.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.468 HD21 ' CZ ' ' A' ' 135' ' ' ARG . 2.8 tp -97.13 109.57 22.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.958 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -92.26 132.95 36.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -102.35 126.83 49.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.514 ' O ' ' N ' ' A' ' 68' ' ' GLN . 19.9 ptt? -127.31 157.83 38.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.05 150.38 20.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.076 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.483 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 1.1 t -86.28 155.11 20.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.487 ' OG1' ' N ' ' A' ' 63' ' ' ASP . 0.8 OUTLIER -98.76 -60.62 1.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.172 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.487 ' N ' ' OG1' ' A' ' 62' ' ' THR . 0.6 OUTLIER -76.71 -20.53 56.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 179.855 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -105.9 -23.99 12.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.483 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 60.06 7.0 6.08 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.6 t -88.57 175.35 7.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.785 0.326 . . . . 0.0 111.2 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -73.35 99.76 3.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.514 ' N ' ' O ' ' A' ' 59' ' ' MET . 3.7 mm100 -81.9 165.99 20.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.953 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.449 ' CB ' HD12 ' A' ' 87' ' ' LEU . 38.2 m -155.24 156.11 35.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -147.22 166.66 26.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.0 mt -108.38 113.91 27.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.2 t -111.69 145.45 17.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.558 ' CE ' ' N ' ' A' ' 52' ' ' GLY . 12.2 tpt -143.56 106.48 4.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.446 ' HD3' ' CD2' ' A' ' 79' ' ' LEU . 72.0 mtt-85 -92.07 127.82 37.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.848 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.2 p -70.53 158.84 35.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.425 ' CD ' ' O ' ' A' ' 76' ' ' GLN . 0.0 OUTLIER -81.84 40.08 0.59 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.932 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -122.59 -95.29 1.25 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.5 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 57.8 m -128.94 64.7 1.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 0.0 110.871 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.446 ' CD2' ' HD3' ' A' ' 74' ' ' ARG . 15.1 mt 40.77 51.43 3.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -96.13 102.01 13.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.819 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 82' ' ' ILE . 0.1 OUTLIER -67.91 132.23 46.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.937 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.468 ' N ' HD12 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -126.68 -21.83 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.053 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.3 tp -130.37 120.8 24.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.944 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -153.27 104.98 2.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.474 HG21 ' CB ' ' A' ' 105' ' ' ALA . 5.0 t -142.98 154.11 43.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.103 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.405 ' HD2' ' C ' ' A' ' 86' ' ' LYS . 1.0 OUTLIER -92.76 128.82 38.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 179.867 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.449 HD12 ' CB ' ' A' ' 69' ' ' SER . 12.6 mt -67.84 138.52 56.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.596 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 49.4 p90 -118.95 156.81 28.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.43 -43.83 62.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.117 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.596 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 21.4 mm-40 -83.72 31.51 0.48 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.46 ' HA ' ' NE1' ' A' ' 88' ' ' TRP . 1.7 ttm -70.01 139.29 52.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.828 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -103.66 113.96 27.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.0 tt -150.26 115.68 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.113 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -128.27 140.58 51.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 10.6 tptm -75.1 93.73 2.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.77 -40.17 88.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.152 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.7 m -147.97 167.38 25.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -71.04 -10.25 59.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -124.76 -21.09 4.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.4 m -113.39 152.3 30.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.452 ' CD1' HD12 ' A' ' 128' ' ' LEU . 3.3 mt -140.14 151.49 21.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.141 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.551 ' CD2' HD11 ' A' ' 117' ' ' LEU . 11.6 m-70 -120.38 103.18 8.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.2 pp -117.85 150.44 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.145 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 13.7 p -101.59 124.57 47.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.474 ' CB ' HG21 ' A' ' 85' ' ' THR . . . -140.8 171.92 13.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.079 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 19.6 mtt -99.26 168.98 9.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -105.18 168.88 8.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 23.3 p -94.5 -39.75 10.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.157 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -101.31 -44.73 5.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -73.93 -10.9 60.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 38.92 43.79 0.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -128.65 154.98 20.34 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 45.7 t -88.88 102.06 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.862 0.363 . . . . 0.0 111.135 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.52 ' HG3' ' CZ ' ' A' ' 116' ' ' PHE . 5.1 ptpt -118.27 149.45 41.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 4.6 p -90.4 117.1 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.108 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.52 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 82.8 m-85 -95.92 176.91 5.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.839 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.551 HD11 ' CD2' ' A' ' 102' ' ' HIS . 3.7 tp -123.88 154.61 39.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.868 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.45 ' CG2' ' SG ' ' A' ' 34' ' ' CYS . 5.4 mt -135.0 102.39 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 46.0 t -98.11 125.3 43.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -155.29 172.78 17.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 123' ' ' LYS . 3.2 t -54.43 138.77 39.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.813 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 121' ' ' SER . 7.0 p -36.3 -33.61 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.837 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 121' ' ' SER . 48.5 tptt -84.49 -59.59 2.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -45.6 -55.19 6.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.878 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.4 m -42.33 -29.1 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -76.64 -38.8 31.24 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.448 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -51.72 -69.42 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.843 0.354 . . . . 0.0 110.924 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.584 ' CD1' ' N ' ' A' ' 129' ' ' TYR . 3.1 pp -55.34 -43.77 75.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.584 ' N ' ' CD1' ' A' ' 128' ' ' LEU . 22.5 t80 -50.56 -55.27 16.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.02 -21.04 58.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -78.48 -55.29 5.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 133' ' ' HIS . 10.4 mp -53.76 -70.9 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.957 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 132' ' ' LEU . 8.5 t-160 -34.9 -62.05 0.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -43.04 -61.42 1.31 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.468 ' CZ ' HD21 ' A' ' 56' ' ' LEU . 1.4 mpt_? -39.92 -40.89 1.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.433 HD12 ' N ' ' A' ' 136' ' ' ILE . 3.0 mm -68.45 -53.35 28.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.077 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.487 ' HA ' ' CG ' ' A' ' 140' ' ' ARG . 30.5 mt -44.88 -40.85 6.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.08 -36.67 80.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.8 mt -77.56 -59.72 2.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.487 ' CG ' ' HA ' ' A' ' 137' ' ' LEU . 5.5 ptm180 -54.33 -15.52 1.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 43.6 t -77.21 -27.14 53.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . 0.428 ' NH1' ' HB3' ' A' ' 142' ' ' ARG . 6.5 mtp-105 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.929 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.871 0.367 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -102.18 86.92 2.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.428 ' CG1' HD23 ' A' ' 56' ' ' LEU . 64.7 t -48.68 -69.58 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.403 HD12 ' C ' ' A' ' 30' ' ' LEU . 4.5 pp -143.76 140.01 29.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.981 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.409 ' CD ' HD21 ' A' ' 53' ' ' LEU . 11.9 tt0 -125.58 129.18 49.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -154.12 136.12 14.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -60.22 127.19 30.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.1 t -146.73 170.83 16.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt -120.1 130.28 54.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.4 tp -96.28 128.63 43.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -119.49 144.67 46.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.9 p -124.85 127.47 72.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.074 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.53 ' CE1' ' HA ' ' A' ' 41' ' ' LYS . 6.2 t80 -70.21 130.06 41.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.503 ' O ' ' N ' ' A' ' 42' ' ' THR . 31.3 t0 -114.93 90.9 3.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.828 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.53 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -33.21 -34.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.986 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.503 ' N ' ' O ' ' A' ' 40' ' ' ASP . 51.3 m -43.8 -49.38 8.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.184 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 44' ' ' GLN . 13.2 m -116.18 19.13 15.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.812 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.488 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 1.8 mm-40 38.03 48.38 1.06 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.4 m -154.89 171.79 19.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.521 ' CZ3' ' HB2' ' A' ' 39' ' ' PHE . 55.6 m95 -78.12 140.44 39.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 83.3 t -128.69 143.21 41.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -60.88 121.27 11.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.79 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.444 ' NH2' ' OD1' ' A' ' 107' ' ' ASP . 0.0 OUTLIER -109.32 -39.95 5.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.847 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 171.96 112.63 0.28 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.515 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.2 ptt-85 -108.66 148.82 29.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.845 0.355 . . . . 0.0 110.898 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.443 ' N ' ' CE ' ' A' ' 73' ' ' MET . . . 177.19 -111.09 0.32 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.502 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.409 HD21 ' CD ' ' A' ' 31' ' ' GLN . 28.1 tp -127.76 111.12 13.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.834 0.349 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.464 ' CD2' HD23 ' A' ' 128' ' ' LEU . 5.5 tp -92.65 143.93 25.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.482 ' HG2' ' CG2' ' A' ' 72' ' ' VAL . 10.4 ptt-85 -149.16 156.89 42.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.428 HD23 ' CG1' ' A' ' 29' ' ' VAL . 2.8 tp -112.99 106.77 15.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 34.5 p-10 -95.17 155.72 16.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.444 ' OD2' ' NH2' ' A' ' 135' ' ' ARG . 33.0 m-20 -122.22 138.51 54.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.5 ' O ' ' N ' ' A' ' 68' ' ' GLN . 20.6 ptt? -140.26 155.52 46.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.32 153.34 29.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.463 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -87.78 150.12 23.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.806 -179.79 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.8 t -98.75 -45.39 6.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.069 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -89.53 -8.56 52.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.454 ' OD1' ' NH1' ' A' ' 142' ' ' ARG . 4.2 t0 -122.73 -19.85 6.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.463 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 59.97 7.59 6.91 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.478 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.8 t -96.91 175.04 6.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.819 0.343 . . . . 0.0 111.144 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.426 ' CD1' ' C ' ' A' ' 67' ' ' LEU . 2.7 tm? -66.98 105.08 1.53 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 59' ' ' MET . 5.0 mm-40 -92.7 161.24 14.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.469 ' CB ' HD11 ' A' ' 87' ' ' LEU . 14.7 m -128.09 161.6 28.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.4 ttm180 -152.06 144.54 24.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.459 ' CD1' HD21 ' A' ' 87' ' ' LEU . 8.8 mt -94.61 153.31 17.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.482 ' CG2' ' HG2' ' A' ' 55' ' ' ARG . 0.9 OUTLIER -154.68 152.11 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.103 179.817 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.443 ' CE ' ' N ' ' A' ' 52' ' ' GLY . 8.9 tpt -155.35 106.36 2.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.867 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.426 ' HG3' ' NH1' ' A' ' 55' ' ' ARG . 44.8 mtm180 -97.17 140.72 31.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.9 p -79.0 156.19 28.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -78.06 157.86 29.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.74 -60.75 4.35 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.416 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 80' ' ' ARG . 34.4 t -117.48 119.54 35.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.924 0.392 . . . . 0.0 110.884 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.73 75.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 78' ' ' SER . 15.0 ttt180 -117.34 139.61 50.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.459 HD13 ' N ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -98.88 134.83 41.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.459 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -126.38 -26.23 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.089 179.854 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.454 ' N ' HG12 ' A' ' 82' ' ' ILE . 6.3 tp -124.75 121.91 35.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -152.95 105.04 2.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.6 t -144.26 147.58 33.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.083 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.465 ' HG3' ' CE ' ' A' ' 59' ' ' MET . 2.8 ttpm? -88.67 117.16 27.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.469 HD11 ' CB ' ' A' ' 69' ' ' SER . 6.5 mt -56.65 144.73 31.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.568 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 40.7 p90 -126.85 163.1 24.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.34 -43.21 92.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.063 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.568 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 32.4 mm-40 -82.87 32.78 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.958 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.477 ' HA ' ' NE1' ' A' ' 88' ' ' TRP . 8.0 tpp -76.36 145.64 39.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -104.29 103.83 13.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 3.1 tt -142.71 115.21 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -125.82 144.12 50.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.564 ' HD3' ' CD2' ' A' ' 129' ' ' TYR . 9.3 tptm -79.7 92.72 5.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.18 -45.88 91.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.089 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.2 t -151.29 -178.65 6.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -84.89 -2.92 58.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.4 mtmt -129.6 -1.0 4.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 79.4 p -140.15 152.16 45.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.869 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 5.7 mt -138.28 152.73 25.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.128 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.452 ' CD2' HD11 ' A' ' 117' ' ' LEU . 4.8 m-70 -120.19 102.96 8.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.06 146.03 27.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 41.6 p -104.1 125.48 50.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.09 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -139.2 159.6 41.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.068 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 6.1 mtt -83.67 169.81 14.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.444 ' OD1' ' NH2' ' A' ' 49' ' ' ARG . 6.4 t70 -106.49 167.0 10.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 67.5 p -89.71 -38.65 13.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.165 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -98.24 -58.49 1.96 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -67.26 -12.11 59.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 38.87 49.0 1.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -131.96 148.76 19.19 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.478 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 82.6 t -83.79 110.68 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 111.126 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -119.46 159.51 24.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 97.6 t -81.34 108.76 14.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.174 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -95.85 169.81 9.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.452 HD11 ' CD2' ' A' ' 102' ' ' HIS . 5.7 tp -133.77 154.19 51.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.421 ' N ' ' HG ' ' A' ' 117' ' ' LEU . 67.2 mt -127.52 110.11 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 23.2 t -103.81 115.32 30.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -150.63 171.16 17.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.159 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 123' ' ' LYS . 6.0 t -61.9 140.2 58.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.841 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 121' ' ' SER . 5.2 p -35.8 -31.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 121' ' ' SER . 21.8 tptm -76.0 -60.89 2.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -53.37 -52.14 60.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 90.9 m -41.21 -50.6 3.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -57.56 -44.81 93.7 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.457 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -59.54 -61.61 2.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.853 0.359 . . . . 0.0 110.937 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.464 HD23 ' CD2' ' A' ' 54' ' ' LEU . 0.5 OUTLIER -49.29 -61.36 2.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.564 ' CD2' ' HD3' ' A' ' 95' ' ' LYS . 61.9 t80 -53.32 -51.23 63.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.51 -22.21 12.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.145 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -85.7 -57.73 2.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.44 ' O ' ' CD1' ' A' ' 136' ' ' ILE . 30.3 mt -49.13 -64.77 0.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 132' ' ' LEU . 6.0 t-80 -36.21 -64.81 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.494 ' O ' ' N ' ' A' ' 136' ' ' ILE . 5.4 t60 -47.74 -59.16 3.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.444 ' NH2' ' OD2' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -37.95 -27.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 -179.855 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.494 ' N ' ' O ' ' A' ' 134' ' ' HIS . 3.8 mp -92.27 -48.1 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 59.2 mt -46.89 -29.82 2.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.922 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -74.49 -39.06 62.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.8 mt -69.83 -55.63 9.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.994 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -50.66 -22.57 2.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 13.1 t -77.6 -38.83 47.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.896 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . 0.454 ' NH1' ' OD1' ' A' ' 64' ' ' ASP . 4.4 mtp-105 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.402 ' O ' ' OD1' ' A' ' 57' ' ' ASN . 3.3 t . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.869 0.366 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -136.54 107.53 6.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 30' ' ' LEU . 6.3 p -79.44 -33.71 15.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.118 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.47 ' N ' HG13 ' A' ' 29' ' ' VAL . 3.3 pp -166.85 128.17 1.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.505 ' CG ' ' CD1' ' A' ' 53' ' ' LEU . 32.0 tt0 -120.01 140.16 51.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -162.8 141.41 8.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -71.95 131.31 42.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.457 ' SG ' ' CB ' ' A' ' 120' ' ' ALA . 1.8 t -150.5 179.25 8.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -113.54 157.51 21.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.7 tp -132.54 128.08 36.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.955 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -123.76 129.41 51.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.422 ' CG2' ' HD3' ' A' ' 114' ' ' LYS . 3.9 p -111.89 126.11 69.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.094 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -72.62 111.48 7.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.941 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 42' ' ' THR . 2.5 m-20 -97.52 101.71 13.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.403 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 12.2 ttmt -41.59 -24.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 40' ' ' ASP . 48.4 m -62.75 -44.96 94.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.9 m -96.39 -23.7 16.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.403 ' NE2' ' O ' ' A' ' 41' ' ' LYS . 1.3 mm-40 67.8 36.38 3.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.937 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t -156.1 170.16 22.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.508 ' CZ3' ' HB2' ' A' ' 117' ' ' LEU . 80.9 m95 -71.51 104.96 3.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 92.1 t -103.51 140.18 22.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.117 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -64.4 128.94 37.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.421 ' CZ ' ' HB ' ' A' ' 82' ' ' ILE . 0.6 OUTLIER -110.28 -37.32 5.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.788 -179.905 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 171.57 112.76 0.28 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.421 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.79 147.82 29.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.899 0.38 . . . . 0.0 110.814 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.413 ' N ' ' CE ' ' A' ' 73' ' ' MET . . . 165.55 -121.22 0.98 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.425 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.505 ' CD1' ' CG ' ' A' ' 31' ' ' GLN . 47.5 tp -98.09 146.88 25.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.807 0.337 . . . . 0.0 110.9 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.6 tp -143.87 127.49 17.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.29 150.78 30.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.802 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.458 HD22 ' CG1' ' A' ' 29' ' ' VAL . 3.1 tp -89.43 114.08 25.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.94 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 27' ' ' SER . 4.6 t-20 -91.94 127.3 37.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -95.53 126.89 41.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.503 ' O ' ' N ' ' A' ' 68' ' ' GLN . 17.7 ptt? -136.1 151.13 49.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.75 154.69 31.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.473 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -89.7 157.61 17.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.835 -179.772 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.46 -54.58 3.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.056 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -84.83 -8.94 58.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.856 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.447 ' OD1' ' NH2' ' A' ' 142' ' ' ARG . 68.3 m-20 -119.59 -18.99 8.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.833 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.473 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 53.8 13.07 2.96 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.418 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.8 t -97.79 174.98 6.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.8 0.333 . . . . 0.0 111.147 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -70.15 99.91 1.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 59' ' ' MET . 7.4 mm-40 -89.38 171.08 10.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 68.4 m -152.26 165.64 34.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -153.62 169.67 22.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.4 mt -107.79 113.33 26.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.3 t -115.09 145.55 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.413 ' CE ' ' N ' ' A' ' 52' ' ' GLY . 13.8 tpt -145.38 123.01 11.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 51.8 mtt-85 -111.16 132.11 54.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.832 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.1 p -71.46 161.05 31.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -90.01 146.15 24.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.79 -57.57 3.04 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.484 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.2 m -83.05 -23.47 33.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.939 0.4 . . . . 0.0 110.886 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 45.01 52.7 8.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.77 125.77 53.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.469 HD13 ' ND2' ' A' ' 84' ' ' ASN . 0.2 OUTLIER -61.0 133.77 56.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.909 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.421 ' HB ' ' CZ ' ' A' ' 49' ' ' ARG . 0.2 OUTLIER -127.77 -27.61 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.818 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.0 tp -125.83 132.61 52.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.495 ' OD1' ' CG2' ' A' ' 108' ' ' THR . 1.0 OUTLIER -162.83 106.55 1.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.8 t -144.87 146.45 32.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.441 ' HD2' ' NE2' ' A' ' 68' ' ' GLN . 23.1 ttpt -88.81 118.42 28.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.464 ' CD2' ' HE1' ' A' ' 91' ' ' MET . 7.6 mt -56.65 148.22 20.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.551 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 43.2 p90 -129.98 162.83 27.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.413 ' CB ' ' HA ' ' A' ' 140' ' ' ARG . . . -55.72 -46.1 77.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.139 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.551 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 59.9 mm-40 -82.62 32.01 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.926 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.464 ' HE1' ' CD2' ' A' ' 87' ' ' LEU . 2.5 tpp -72.8 144.26 47.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.827 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -107.5 110.44 22.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.9 tt -145.18 122.58 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -137.89 141.16 40.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.884 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.503 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 11.5 tptm -79.95 96.75 6.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.913 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.65 -42.84 77.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.053 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.5 t -147.21 165.28 30.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.88 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.16 -19.67 65.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 26.0 mttp -120.26 14.9 12.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.1 p -148.43 147.6 29.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.412 HD12 ' CG2' ' A' ' 125' ' ' THR . 6.1 mt -139.81 146.04 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.576 ' CD2' HD13 ' A' ' 117' ' ' LEU . 11.3 m170 -116.5 110.67 18.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.3 pp -127.17 147.12 32.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.066 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.9 p -98.82 120.48 39.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -138.73 166.22 24.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.039 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 14.8 mtt -93.07 164.51 13.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -103.11 161.71 13.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.822 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.495 ' CG2' ' OD1' ' A' ' 84' ' ' ASN . 76.2 p -87.13 -36.71 17.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -101.04 -53.12 3.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -64.19 -13.48 49.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 40.85 49.6 2.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -140.34 153.45 23.49 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.428 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 42.4 t -81.86 95.46 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.938 0.399 . . . . 0.0 111.118 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.571 ' HG3' ' CE1' ' A' ' 116' ' ' PHE . 1.5 ptpm? -112.0 146.85 37.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 4.0 p -87.43 117.67 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.144 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.571 ' CE1' ' HG3' ' A' ' 114' ' ' LYS . 86.5 m-85 -96.74 177.65 5.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.576 HD13 ' CD2' ' A' ' 102' ' ' HIS . 3.7 tp -129.45 151.29 50.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.438 HD13 ' CD2' ' A' ' 128' ' ' LEU . 7.6 mt -133.14 101.92 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.118 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.8 t -95.64 113.11 24.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.457 ' CB ' ' SG ' ' A' ' 34' ' ' CYS . . . -140.62 160.97 38.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.04 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 122' ' ' SER . 74.7 m -52.53 151.73 4.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 121' ' ' SER . 99.4 p -35.48 -47.41 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.831 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -75.13 -59.82 2.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.933 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -38.68 -51.79 1.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.412 ' CG2' HD12 ' A' ' 101' ' ' ILE . 89.5 m -54.75 -58.65 6.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -44.87 -43.9 8.5 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.542 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -53.61 -68.05 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.795 0.331 . . . . 0.0 110.835 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.438 ' CD2' HD13 ' A' ' 118' ' ' ILE . 9.0 tp -50.32 -63.58 1.08 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.503 ' CZ ' ' HB2' ' A' ' 95' ' ' LYS . 38.8 t80 -44.96 -58.11 3.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.966 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -50.76 -27.39 7.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.08 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.83 -65.34 0.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 135' ' ' ARG . 20.6 mt -41.52 -66.0 0.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.967 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . 0.473 ' C ' ' O ' ' A' ' 132' ' ' LEU . 10.6 t-160 -31.27 -65.41 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -51.79 -42.76 62.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 132' ' ' LEU . 15.5 mmt180 -59.19 -30.35 68.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.469 ' N ' HD13 ' A' ' 136' ' ' ILE . 3.0 mm -76.79 -45.19 32.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.039 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.472 ' HA ' ' CG ' ' A' ' 140' ' ' ARG . 34.1 mt -46.74 -46.68 20.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.959 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -56.58 -32.85 65.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.149 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.8 mt -80.74 -66.89 0.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.472 ' CG ' ' HA ' ' A' ' 137' ' ' LEU . 4.0 ptm180 -42.03 -27.19 0.12 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.9 t -67.82 -42.17 81.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . 0.483 ' CZ ' ' HB3' ' A' ' 142' ' ' ARG . 10.8 mtp-105 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.829 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 35.0 m . . . . . 0 N--CA 1.457 -0.102 0 CA-C-O 120.832 0.349 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -103.28 86.22 2.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.465 ' CG2' HD21 ' A' ' 56' ' ' LEU . 91.7 t -38.43 -75.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 pp -140.41 136.3 32.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -117.65 132.78 56.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.958 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.0 ptm -159.27 143.76 15.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -74.72 123.85 25.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.449 ' SG ' ' CB ' ' A' ' 120' ' ' ALA . 1.8 t -141.83 176.16 9.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.551 ' CE ' ' CZ ' ' A' ' 37' ' ' PHE . 28.1 tttp -114.97 146.45 41.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.7 tp -120.56 130.4 54.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.812 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.551 ' CZ ' ' CE ' ' A' ' 35' ' ' LYS . 87.0 m-85 -121.18 137.29 54.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.95 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.438 ' CG1' ' O ' ' A' ' 38' ' ' VAL . 5.5 p -115.1 120.88 65.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.467 ' CZ ' ' HA ' ' A' ' 44' ' ' GLN . 20.9 t80 -87.71 116.91 26.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 42' ' ' THR . 5.8 t0 -98.96 101.19 12.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.826 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.7 tttm -39.09 -29.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.934 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 40' ' ' ASP . 36.3 m -58.89 -47.09 86.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.124 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.0 t -92.03 -26.33 18.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.86 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.467 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 1.4 mm-40 67.36 37.3 3.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.923 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.1 t -147.0 167.37 24.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.568 ' CH2' ' HB2' ' A' ' 117' ' ' LEU . 44.0 m95 -82.29 99.57 9.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.948 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.405 HG11 ' N ' ' A' ' 48' ' ' GLU . 91.7 t -97.03 135.79 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.166 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.405 ' N ' HG11 ' A' ' 47' ' ' VAL . 6.9 tm-20 -66.83 133.44 50.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.7 tpp180 -109.03 -48.9 3.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -177.86 127.54 1.19 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.519 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -116.6 148.88 40.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.858 0.361 . . . . 0.0 110.824 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 166.37 -118.05 0.78 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.538 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 51.7 tp -107.22 141.34 38.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.815 0.34 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.9 tp -137.96 131.57 31.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.977 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.444 ' NH2' HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -151.55 154.06 35.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.478 HD23 ' CD ' ' A' ' 135' ' ' ARG . 7.0 tp -95.55 115.21 27.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -101.45 137.5 39.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.911 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 59' ' ' MET . 0.8 OUTLIER -94.92 140.01 30.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.507 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 22.5 ptt? -147.68 149.24 32.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.65 150.95 30.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.099 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.472 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.6 OUTLIER -82.87 156.81 23.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.783 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.95 -46.64 5.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.092 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -90.64 -8.54 49.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.813 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -122.77 -17.57 6.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.472 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 53.33 16.54 4.93 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.444 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.657 ' HG1' ' NE ' ' A' ' 142' ' ' ARG . 10.4 t -102.74 173.86 6.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.809 0.337 . . . . 0.0 111.12 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.461 ' CD2' ' OD1' ' A' ' 58' ' ' ASP . 1.9 tm? -65.11 100.37 0.43 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.555 ' NE2' ' NZ ' ' A' ' 86' ' ' LYS . 6.5 mm-40 -90.6 170.65 9.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.891 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.45 ' OG ' ' NE ' ' A' ' 135' ' ' ARG . 68.5 m -149.8 144.28 25.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 32.2 ptt180 -142.34 151.51 42.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.4 mt -94.35 121.92 36.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.47 HG11 ' N ' ' A' ' 73' ' ' MET . 3.4 t -117.48 141.35 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.47 ' N ' HG11 ' A' ' 72' ' ' VAL . 11.0 tpt -142.19 128.93 20.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 45.4 mtm180 -122.37 128.34 50.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.9 p -72.58 142.11 48.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -20.84 66.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -56.27 -78.08 0.13 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 79' ' ' LEU . 3.2 t -126.28 44.06 2.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.927 0.394 . . . . 0.0 110.895 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 78' ' ' SER . 38.2 mt 36.84 38.18 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 49.0 ttt85 -85.51 142.08 29.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.21 134.0 34.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.41 HG12 ' N ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -126.25 -24.47 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.833 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.41 ' N ' HG12 ' A' ' 82' ' ' ILE . 6.4 tp -126.14 107.39 10.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -134.91 69.84 1.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.3 t -110.16 152.57 25.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.555 ' NZ ' ' NE2' ' A' ' 68' ' ' GLN . 5.9 tmmm? -100.2 124.98 46.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.464 ' CD2' ' HE1' ' A' ' 91' ' ' MET . 41.8 mt -56.8 141.4 44.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.568 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 46.1 p90 -127.39 154.95 44.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.96 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.423 ' C ' ' H ' ' A' ' 91' ' ' MET . . . -48.1 -49.83 30.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.135 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.568 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 89.4 mm-40 -80.33 31.18 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.518 ' HA ' ' CE2' ' A' ' 88' ' ' TRP . 3.1 tpp -73.35 142.65 47.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -105.31 119.36 38.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.922 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.3 tt -151.99 117.22 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.155 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -134.04 139.2 45.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.494 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 12.1 tptm -75.89 98.51 4.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.525 ' HB3' ' CD2' ' A' ' 102' ' ' HIS . . . -66.26 -48.14 71.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.123 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.1 m -142.64 -175.29 4.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.743 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -76.6 -39.17 53.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.47 26.42 9.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.7 m -159.12 152.22 22.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.819 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 6.8 mt -140.08 158.02 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.179 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.525 ' CD2' ' HB3' ' A' ' 96' ' ' ALA . 3.6 m-70 -119.34 100.7 7.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.1 pp -120.71 140.77 43.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.095 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 37.2 p -96.65 123.46 40.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -134.11 170.85 15.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 35.2 mtt -107.2 153.16 23.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -88.32 166.42 14.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.856 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 69.1 p -87.5 -38.1 16.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -94.88 -55.94 2.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -68.17 -16.65 64.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 40.31 46.07 1.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -128.02 149.97 18.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.557 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 60.7 t -84.84 117.77 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.903 0.383 . . . . 0.0 111.151 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.456 ' HD2' ' CZ ' ' A' ' 116' ' ' PHE . 7.2 ptpt -128.0 174.1 9.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 83.7 t -93.95 109.99 22.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.456 ' CZ ' ' HD2' ' A' ' 114' ' ' LYS . 49.3 m-85 -98.55 171.79 7.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.974 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.568 ' HB2' ' CH2' ' A' ' 46' ' ' TRP . 3.7 tp -137.08 155.02 50.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.484 ' CG2' HD23 ' A' ' 128' ' ' LEU . 10.1 mt -134.49 101.13 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.16 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 41.7 t -92.32 111.03 22.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.78 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.449 ' CB ' ' SG ' ' A' ' 34' ' ' CYS . . . -137.26 177.58 7.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.084 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 122' ' ' SER . 2.9 m -61.92 145.06 54.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 121' ' ' SER . 67.1 p -37.77 -36.13 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.793 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.2 -58.15 2.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -44.39 -54.44 5.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.849 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 73.6 m -43.44 -42.04 4.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -68.82 -35.02 78.78 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.48 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -58.87 -68.32 0.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.817 0.341 . . . . 0.0 110.936 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.484 HD23 ' CG2' ' A' ' 118' ' ' ILE . 1.1 pp -53.34 -39.54 64.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.494 ' CZ ' ' HB2' ' A' ' 95' ' ' LYS . 18.6 t80 -59.69 -57.66 11.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -49.53 -41.33 40.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.067 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 132' ' ' LEU . . . -62.91 -66.34 0.56 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.121 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.484 ' O ' ' C ' ' A' ' 133' ' ' HIS . 9.2 mp -36.75 -67.7 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . 0.484 ' C ' ' O ' ' A' ' 132' ' ' LEU . 2.4 t-160 -31.64 -67.15 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.825 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 135' ' ' ARG . 55.6 t60 -47.69 -57.86 5.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.861 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.478 ' CD ' HD23 ' A' ' 56' ' ' LEU . 7.7 mmm180 -35.89 -36.98 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.412 HG12 ' HB3' ' A' ' 91' ' ' MET . 4.1 mp -85.59 -48.22 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 56.0 mt -45.08 -29.58 0.92 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.965 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -75.93 -36.38 59.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.052 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.7 mt -73.28 -56.51 4.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.935 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -47.83 -24.26 0.95 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 29.3 t -78.52 -42.56 29.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.824 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . 0.657 ' NE ' ' HG1' ' A' ' 66' ' ' THR . 24.0 mtt-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.81 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 t . . . . . 0 N--CA 1.458 -0.053 0 CA-C-O 120.888 0.375 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -83.0 110.57 18.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.466 ' HB ' ' CD2' ' A' ' 56' ' ' LEU . 85.4 t -67.02 -67.39 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.422 ' C ' HD12 ' A' ' 30' ' ' LEU . 4.5 pp -135.7 139.41 43.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.416 ' CD ' HD21 ' A' ' 53' ' ' LEU . 18.7 tt0 -129.3 132.1 47.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.403 ' CE ' ' HB3' ' A' ' 124' ' ' ASP . 5.1 ptt? -158.96 161.01 36.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -85.69 118.69 25.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.49 ' SG ' ' CG2' ' A' ' 118' ' ' ILE . 1.5 t -137.82 177.45 7.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.831 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -118.96 138.32 52.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.3 tp -111.99 121.96 46.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -115.53 140.86 48.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 8.2 p -120.61 130.06 74.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.106 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.486 ' CZ ' ' HA ' ' A' ' 44' ' ' GLN . 20.9 t80 -85.69 131.36 34.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 42' ' ' THR . 7.9 t0 -116.99 104.16 11.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.5 ptpp? -41.71 -24.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 40' ' ' ASP . 76.8 m -63.06 -43.97 97.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.154 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.1 t -101.5 -10.97 19.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.801 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.486 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 0.9 OUTLIER 54.75 34.42 21.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -148.46 167.94 24.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.504 ' CZ3' ' HB2' ' A' ' 117' ' ' LEU . 97.3 m95 -79.02 111.21 15.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.859 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 90.3 t -104.64 140.86 21.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -52.75 142.13 19.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -123.68 -37.01 2.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 163.06 126.24 0.81 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.443 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.7 ptp180 -117.77 149.95 39.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.82 0.343 . . . . 0.0 110.88 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 170.83 -105.98 0.23 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.55 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.416 HD21 ' CD ' ' A' ' 31' ' ' GLN . 10.8 tp -136.03 118.65 15.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.832 0.349 . . . . 0.0 110.93 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.0 tp -94.73 142.19 27.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.963 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.455 ' HG2' ' CG2' ' A' ' 72' ' ' VAL . 13.4 ptt180 -151.32 153.5 34.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.47 HD13 ' CD ' ' A' ' 135' ' ' ARG . 3.2 tp -107.47 112.56 25.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -96.12 131.87 42.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.438 ' OD1' ' CD2' ' A' ' 67' ' ' LEU . 8.2 t0 -97.13 142.56 28.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.475 ' CE ' ' HG3' ' A' ' 86' ' ' LYS . 19.5 ptt? -146.43 155.19 42.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.41 145.99 26.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.451 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -80.81 160.47 24.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.845 -179.786 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.0 -69.7 0.75 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -71.32 -19.76 62.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -104.78 -23.85 12.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.451 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 56.15 10.68 4.05 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.497 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.439 HG22 ' CD ' ' A' ' 142' ' ' ARG . 6.5 t -93.58 172.49 8.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.35 . . . . 0.0 111.181 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.438 ' CD2' ' OD1' ' A' ' 58' ' ' ASP . 3.4 tm? -65.87 100.08 0.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 59' ' ' MET . 5.9 mm-40 -91.54 165.69 13.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.426 ' C ' HD12 ' A' ' 87' ' ' LEU . 9.5 m -149.16 169.85 19.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.403 ' N ' HD12 ' A' ' 87' ' ' LEU . 1.3 ptp85 -158.48 160.45 36.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.897 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.9 mt -93.17 155.24 17.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.455 ' CG2' ' HG2' ' A' ' 55' ' ' ARG . 0.9 OUTLIER -153.03 153.69 8.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.819 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 8.3 tpt -153.18 113.55 4.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.44 ' NH1' ' NH1' ' A' ' 55' ' ' ARG . 30.3 mtm180 -106.1 129.89 54.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.7 p -74.11 152.61 39.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.101 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -80.39 83.6 6.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -176.74 -71.91 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.498 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.5 m -130.22 39.9 3.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.815 0.34 . . . . 0.0 110.839 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 35.9 mt 39.85 46.9 1.75 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.955 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -85.67 118.19 25.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.3 132.8 35.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.406 HG12 ' N ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -125.96 -22.18 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.828 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.406 ' N ' HG12 ' A' ' 82' ' ' ILE . 11.3 tp -124.84 107.88 11.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -142.0 105.02 4.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.7 t -139.88 156.36 46.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.475 ' HG3' ' CE ' ' A' ' 59' ' ' MET . 23.7 ttpt -97.6 123.09 41.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.514 HD13 ' NE ' ' A' ' 135' ' ' ARG . 1.1 mt -57.91 154.78 11.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.957 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.613 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 48.3 p90 -140.59 150.4 43.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.871 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -46.61 -43.95 17.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.613 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 3.1 mp0 -82.11 24.8 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.517 ' HA ' ' CE2' ' A' ' 88' ' ' TRP . 3.7 tpp -68.26 135.28 51.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -99.11 123.61 43.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.962 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.465 HD13 ' CD2' ' A' ' 132' ' ' LEU . 1.2 tt -154.42 113.78 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.081 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -128.28 142.99 50.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.828 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -82.46 95.19 7.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.559 ' HB3' ' CD2' ' A' ' 102' ' ' HIS . . . -66.23 -43.92 85.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.089 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.7 t -149.12 171.32 16.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.782 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -75.12 -4.38 38.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 23.8 mtmt -129.36 -2.95 4.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.2 t -136.76 146.66 46.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.406 HG21 ' CG2' ' A' ' 103' ' ' ILE . 54.2 mt -138.24 138.37 43.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.146 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.559 ' CD2' ' HB3' ' A' ' 96' ' ' ALA . 14.2 m170 -102.94 104.44 14.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.816 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.406 ' CG2' HG21 ' A' ' 101' ' ' ILE . 0.9 OUTLIER -118.45 143.53 29.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.142 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 10.3 p -98.5 118.34 34.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -136.18 166.96 22.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.135 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 40.2 mtt -98.55 136.43 38.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.495 ' OD2' ' N ' ' A' ' 110' ' ' ASP . 3.9 p-10 -83.84 169.4 15.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.935 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 48.4 p -104.56 -14.82 15.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -86.36 -57.0 3.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.913 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.495 ' N ' ' OD2' ' A' ' 107' ' ' ASP . 23.4 t70 -100.09 8.72 43.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.486 ' N ' ' OD2' ' A' ' 107' ' ' ASP . 11.1 mt-30 34.81 51.6 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -132.11 167.91 22.72 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.487 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 58.5 t -96.84 118.8 43.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.875 0.369 . . . . 0.0 111.121 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.411 ' NZ ' ' HB3' ' A' ' 114' ' ' LYS . 1.4 ptpm? -132.76 162.86 30.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.926 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 89.5 t -83.17 112.92 21.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.199 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -99.76 173.91 6.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.504 ' HB2' ' CZ3' ' A' ' 46' ' ' TRP . 3.4 tp -137.24 156.54 48.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.49 ' CG2' ' SG ' ' A' ' 34' ' ' CYS . 24.9 mt -133.53 107.64 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.162 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.3 t -96.4 109.35 21.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -139.93 172.79 12.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.058 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 122' ' ' SER . 45.7 t -59.13 144.74 44.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 121' ' ' SER . 5.1 p -37.32 -35.16 0.11 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -86.91 -63.68 1.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 127' ' ' GLN . 24.4 m-20 -40.31 -61.04 0.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.926 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 124' ' ' ASP . 19.7 m -36.05 -35.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 124' ' ' ASP . . . -73.23 -41.46 46.51 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.422 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 124' ' ' ASP . 7.5 mt-30 -42.72 -69.51 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.853 0.359 . . . . 0.0 110.9 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.492 ' HG ' ' N ' ' A' ' 129' ' ' TYR . 1.2 pt? -53.08 -40.8 64.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.959 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.492 ' N ' ' HG ' ' A' ' 128' ' ' LEU . 16.7 t80 -53.81 -63.0 1.29 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -48.94 -19.08 0.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.102 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 132' ' ' LEU . . . -88.43 -59.99 2.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.095 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.491 ' HA ' ' NE ' ' A' ' 135' ' ' ARG . 3.6 mp -38.02 -63.82 0.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . 0.454 ' C ' ' O ' ' A' ' 132' ' ' LEU . 2.2 t-160 -34.25 -64.62 0.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.504 ' O ' ' N ' ' A' ' 136' ' ' ILE . 55.4 t60 -47.1 -59.5 3.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.514 ' NE ' HD13 ' A' ' 87' ' ' LEU . 46.1 mtm180 -36.01 -30.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.504 ' N ' ' O ' ' A' ' 134' ' ' HIS . 3.6 mp -94.28 -46.88 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.106 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.483 ' CD1' ' HA ' ' A' ' 134' ' ' HIS . 5.8 mt -50.94 -33.12 23.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -69.36 -24.89 63.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.14 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.1 mt -90.21 -55.73 3.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.467 ' CG ' ' HA ' ' A' ' 137' ' ' LEU . 2.7 ptp180 -57.58 -19.09 23.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 47.1 t -75.43 -35.16 61.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 142' ' ' ARG . 5.3 mtp-105 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.934 0.397 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -126.92 88.1 2.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.431 ' CG2' HD23 ' A' ' 56' ' ' LEU . 76.9 t -47.99 -60.7 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.086 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.419 HD13 ' C ' ' A' ' 30' ' ' LEU . 4.0 pp -151.86 140.58 20.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.409 ' CG ' HD13 ' A' ' 53' ' ' LEU . 31.0 tt0 -117.96 138.53 52.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.6 ptm -161.31 130.46 4.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -67.72 130.53 43.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.2 t -151.04 177.23 10.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -114.86 162.63 16.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.0 tp -128.65 121.25 28.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.962 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -116.21 117.43 30.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.7 p -104.68 137.88 31.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.077 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.417 ' CZ ' ' HA ' ' A' ' 44' ' ' GLN . 10.8 t80 -85.35 132.68 34.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 42' ' ' THR . 4.6 m-20 -121.16 104.4 9.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.479 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 2.8 ptpp? -37.88 -27.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.828 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.492 ' N ' ' O ' ' A' ' 40' ' ' ASP . 36.4 m -60.29 -49.5 77.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.18 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.5 t -91.93 -24.48 19.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.479 ' NE2' ' O ' ' A' ' 41' ' ' LYS . 1.0 OUTLIER 66.61 36.01 5.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.9 m -161.38 -178.44 6.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.509 ' CH2' ' HB2' ' A' ' 117' ' ' LEU . 68.6 m95 -72.36 113.8 9.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 71.1 t -109.83 135.96 47.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.075 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -52.15 132.05 32.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.73 -31.18 4.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.839 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 158.81 132.98 1.45 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.506 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.5 ptp85 -120.8 141.29 50.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.764 0.316 . . . . 0.0 110.928 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.436 ' N ' ' HE1' ' A' ' 73' ' ' MET . . . 171.12 -134.66 3.18 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.488 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.409 HD13 ' CG ' ' A' ' 31' ' ' GLN . 43.9 tp -96.44 148.72 22.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.809 0.338 . . . . 0.0 110.924 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.6 tp -142.89 133.32 24.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.44 ' NH2' HG12 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -151.33 155.38 38.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.431 HD23 ' CG2' ' A' ' 29' ' ' VAL . 3.3 tp -91.64 110.86 22.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -92.44 142.65 27.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -108.49 138.79 44.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.5 ' O ' ' N ' ' A' ' 68' ' ' GLN . 21.7 ptt? -150.14 152.54 34.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -83.21 157.36 22.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.468 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -88.34 157.66 18.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 -179.759 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.7 -47.87 5.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.157 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -90.32 -9.59 47.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.878 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -121.59 -14.56 8.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.468 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 50.07 16.22 1.25 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.451 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.0 t -99.25 174.61 6.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.878 0.37 . . . . 0.0 111.122 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -68.3 99.9 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.6 ' NE2' ' HZ1' ' A' ' 86' ' ' LYS . 6.7 mm-40 -87.95 170.79 10.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.9 m -155.76 150.51 26.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.808 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.419 ' CB ' ' HA ' ' A' ' 86' ' ' LYS . 1.9 ptp180 -146.26 163.06 36.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.845 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.451 ' CD2' HD21 ' A' ' 132' ' ' LEU . 7.0 mt -102.48 121.78 43.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.44 HG12 ' NH2' ' A' ' 55' ' ' ARG . 3.2 t -117.45 142.22 32.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.477 ' SD ' ' N ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -144.95 124.4 13.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.848 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.477 ' N ' ' SD ' ' A' ' 73' ' ' MET . 83.3 mtt180 -122.04 127.94 50.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.88 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.2 p -68.59 152.0 45.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.17 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.451 ' CD ' ' O ' ' A' ' 76' ' ' GLN . 0.0 OUTLIER -78.45 132.12 37.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 128.98 -69.23 0.53 Allowed Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.478 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.6 p -128.03 28.72 5.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.921 0.391 . . . . 0.0 110.872 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 42.9 mt 37.7 53.31 1.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -85.38 102.12 13.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.464 ' HG ' ' ND2' ' A' ' 84' ' ' ASN . 0.5 OUTLIER -58.72 134.04 56.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.454 HG12 ' N ' ' A' ' 83' ' ' LEU . 0.3 OUTLIER -129.24 -30.29 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.092 179.9 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.454 ' N ' HG12 ' A' ' 82' ' ' ILE . 3.8 tp -122.83 130.94 53.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.959 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.464 ' ND2' ' HG ' ' A' ' 81' ' ' LEU . 15.5 m-20 -163.38 105.82 0.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.2 t -147.25 141.26 25.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.6 ' HZ1' ' NE2' ' A' ' 68' ' ' GLN . 3.8 tmmm? -82.87 128.98 34.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.502 ' CD2' ' CE ' ' A' ' 91' ' ' MET . 27.6 mt -61.21 136.36 58.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.945 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.556 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 42.1 p90 -116.32 160.51 20.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.992 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.67 -45.33 70.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.112 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.556 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 27.1 mm-40 -83.93 32.31 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.958 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.502 ' CE ' ' CD2' ' A' ' 87' ' ' LEU . 1.1 tpp -68.7 138.59 55.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -106.2 111.46 24.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.9 tt -145.84 116.98 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.076 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -125.68 144.56 50.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.503 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 11.1 tptm -86.43 95.43 9.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.02 -38.38 90.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.104 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.4 t -160.75 172.6 16.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -77.41 -0.27 25.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 51.5 mttt -121.06 -27.78 4.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 80.2 p -122.7 154.4 38.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.828 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.459 ' CD1' HG21 ' A' ' 125' ' ' THR . 7.2 mt -138.71 144.84 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.12 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.548 ' CD2' HD11 ' A' ' 117' ' ' LEU . 11.2 m170 -111.28 109.65 19.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.802 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.2 pp -125.9 143.39 39.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.073 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 35.6 p -98.76 126.69 44.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.19 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -140.09 167.64 21.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.0 mtt -95.06 161.93 13.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -96.8 171.51 8.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 72.1 p -93.45 -37.06 12.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -100.18 -54.99 2.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -65.0 -13.06 56.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 40.92 45.01 2.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -137.4 150.7 20.85 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.561 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 43.6 t -81.34 138.47 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.961 0.41 . . . . 0.0 111.109 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -144.0 176.65 9.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 45.4 t -94.12 102.67 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.062 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -95.86 136.75 35.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.548 HD11 ' CD2' ' A' ' 102' ' ' HIS . 4.8 tp -101.08 155.27 18.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 57.5 mt -129.79 102.83 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.193 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 46.7 t -94.05 104.53 16.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -134.07 174.77 10.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.098 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 122' ' ' SER . 47.7 t -69.91 141.67 53.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.803 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 121' ' ' SER . 5.5 p -35.97 -35.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 121' ' ' SER . 52.0 tptt -79.85 -60.22 2.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.858 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 125' ' ' THR . 69.9 m-20 -50.96 -53.78 30.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.459 HG21 ' CD1' ' A' ' 101' ' ' ILE . 47.2 m -36.83 -52.22 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -55.58 -54.96 31.19 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.52 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -40.76 -69.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 110.94 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 129' ' ' TYR . 30.8 tp -47.75 -66.95 0.32 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.503 ' CZ ' ' HB2' ' A' ' 95' ' ' LYS . 37.9 t80 -35.94 -59.5 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -47.79 -42.68 26.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.109 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 128' ' ' LEU . . . -61.88 -69.53 0.24 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.09 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 133' ' ' HIS . 11.0 mp -45.43 -69.08 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . 0.452 ' C ' ' O ' ' A' ' 132' ' ' LEU . 11.9 t-80 -34.3 -55.82 0.51 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 135' ' ' ARG . 50.6 t60 -55.59 -58.89 5.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 134' ' ' HIS . 0.2 OUTLIER -37.93 -42.32 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 -179.899 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' A' ' 139' ' ' LEU . 2.9 mm -64.69 -53.7 38.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 36.6 mt -38.74 -40.28 0.59 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -67.28 -39.35 86.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.102 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 136' ' ' ILE . 4.6 mt -71.11 -55.73 7.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -42.03 -40.16 2.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 33.3 t -56.04 -41.86 75.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 27.1 mtp85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 -179.92 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.2 m . . . . . 0 C--O 1.23 0.04 0 CA-C-O 120.818 0.342 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.448 ' ND2' ' HB2' ' A' ' 55' ' ' ARG . 0.9 OUTLIER -130.47 114.41 15.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.0 t -68.09 -66.58 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.109 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.421 HD13 ' C ' ' A' ' 30' ' ' LEU . 4.5 pp -138.63 140.44 38.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -126.47 134.87 50.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.445 ' CE ' HD23 ' A' ' 128' ' ' LEU . 4.1 ptm -161.27 142.43 11.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -70.44 122.31 19.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.416 ' SG ' ' CG2' ' A' ' 118' ' ' ILE . 1.8 t -139.17 177.89 7.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -116.64 159.57 22.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.2 tp -130.49 135.09 47.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -135.35 135.69 40.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.56 ' CG1' ' CE2' ' A' ' 116' ' ' PHE . 31.3 m -121.59 150.25 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -87.34 134.34 33.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.838 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.48 ' O ' ' C ' ' A' ' 41' ' ' LYS . 1.4 t0 -122.96 93.14 3.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.492 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 3.6 ttmm -31.38 -38.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 40' ' ' ASP . 9.9 m -54.51 -51.75 64.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 40' ' ' ASP . 8.7 t -85.75 -26.26 25.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.492 ' NE2' ' O ' ' A' ' 41' ' ' LYS . 1.4 mm-40 65.97 38.6 4.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 34.1 m -164.61 174.77 10.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 63.8 m95 -71.35 125.68 27.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 76.7 t -118.7 135.12 60.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.064 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -62.62 121.82 14.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -103.19 -37.42 7.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 169.06 118.1 0.43 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.486 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -111.7 137.69 49.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.798 0.333 . . . . 0.0 110.885 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.505 ' N ' ' CE ' ' A' ' 73' ' ' MET . . . 177.76 -127.27 1.16 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.421 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.4 tp -98.42 134.88 40.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.342 . . . . 0.0 110.989 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.4 tp -131.94 134.77 46.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.448 ' HB2' ' ND2' ' A' ' 28' ' ' ASN . 0.0 OUTLIER -151.27 153.02 34.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.876 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.2 tp -96.4 108.21 20.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -92.51 143.68 26.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.823 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -111.44 126.67 55.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.495 ' O ' ' N ' ' A' ' 68' ' ' GLN . 11.7 ptt? -128.44 161.08 30.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.33 147.66 25.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.062 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.467 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.5 OUTLIER -83.63 156.07 22.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.882 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.88 -51.44 3.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.145 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -86.25 -10.37 54.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.808 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -119.63 -17.34 8.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.467 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 52.61 14.07 2.29 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.49 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.1 t -99.17 174.66 6.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.821 0.343 . . . . 0.0 111.129 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -68.43 99.49 0.96 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 59' ' ' MET . 6.6 mm-40 -88.67 171.03 10.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.2 m -151.18 164.79 35.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -155.79 163.36 39.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.463 ' CD2' HD11 ' A' ' 132' ' ' LEU . 9.7 mt -104.44 119.35 38.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.959 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.3 t -120.9 146.56 25.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.11 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.505 ' CE ' ' N ' ' A' ' 52' ' ' GLY . 12.2 tpt -149.21 114.27 5.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.8 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.471 ' NE ' HD11 ' A' ' 79' ' ' LEU . 42.7 mtp180 -105.7 130.72 53.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.9 p -68.23 155.64 39.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.083 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.435 ' CD ' ' O ' ' A' ' 76' ' ' GLN . 3.3 pp0? -92.33 39.97 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -123.73 -69.23 0.22 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.508 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 79' ' ' LEU . 7.5 m -134.18 43.33 2.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.888 0.375 . . . . 0.0 110.795 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.471 HD11 ' NE ' ' A' ' 74' ' ' ARG . 4.0 mm? 37.28 53.51 1.28 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.826 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.1 tpp85 -104.59 110.44 22.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.43 HD12 ' N ' ' A' ' 82' ' ' ILE . 0.1 OUTLIER -66.76 129.87 41.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.896 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.43 ' N ' HD12 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -124.02 -21.2 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.096 179.857 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.9 tp -127.73 112.18 14.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.451 ' OD1' ' C ' ' A' ' 84' ' ' ASN . 9.6 t-20 -145.03 105.09 4.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.7 t -144.52 154.92 43.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.075 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.477 ' HD2' ' NE2' ' A' ' 68' ' ' GLN . 19.8 ttpt -99.3 123.83 43.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.458 ' CD2' ' HE3' ' A' ' 91' ' ' MET . 15.4 mt -56.66 139.05 51.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.558 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 42.9 p90 -120.52 161.43 21.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.44 -46.1 73.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.176 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.558 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 72.5 mm-40 -83.19 32.45 0.44 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.462 ' HA ' ' CE2' ' A' ' 88' ' ' TRP . 1.5 tpp -72.68 135.73 45.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -102.56 118.5 36.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.7 tt -149.22 134.15 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.157 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -148.51 144.14 27.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 12.0 tptm -85.13 93.95 8.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.985 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.441 ' HB1' ' CD2' ' A' ' 102' ' ' HIS . . . -56.6 -48.93 76.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.8 t -146.5 -178.95 6.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.802 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -66.04 -39.9 90.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.837 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -110.7 32.57 5.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 39.8 p -156.88 139.66 15.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 3.6 mt -133.67 148.1 30.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.186 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.553 ' CD2' HD11 ' A' ' 117' ' ' LEU . 6.4 m-70 -118.17 103.31 9.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.4 pp -120.84 146.8 25.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.131 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 21.0 p -102.65 123.11 45.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -143.39 175.98 9.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.116 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 17.8 mtt -108.6 155.47 20.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.82 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -103.1 167.36 9.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.815 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.3 -36.67 13.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.16 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -82.24 -56.89 3.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -70.68 -34.93 72.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 62.88 46.12 5.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -142.67 152.74 24.09 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.448 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 92.6 t -75.78 96.53 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.966 0.412 . . . . 0.0 111.093 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.54 ' HG3' ' CE1' ' A' ' 116' ' ' PHE . 1.6 ptpm? -108.24 156.39 19.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 98.1 t -80.73 113.17 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.171 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.56 ' CE2' ' CG1' ' A' ' 38' ' ' VAL . 91.9 m-85 -98.96 137.88 36.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.96 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.553 HD11 ' CD2' ' A' ' 102' ' ' HIS . 3.3 tp -103.22 157.17 17.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.416 ' CG2' ' SG ' ' A' ' 34' ' ' CYS . 10.3 mt -137.5 106.82 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.8 t -103.73 115.57 30.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -143.99 174.36 10.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.076 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 74.0 m -53.86 151.15 6.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 96.5 p -41.04 -44.21 2.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.88 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -81.05 -59.88 2.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.923 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 127' ' ' GLN . 1.1 m-20 -38.96 -59.52 0.96 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 93.9 m -41.76 -37.36 1.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.137 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -76.45 -31.54 54.13 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.529 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 124' ' ' ASP . 15.1 mt-30 -59.3 -68.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.829 0.347 . . . . 0.0 110.939 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.484 ' CD1' ' N ' ' A' ' 129' ' ' TYR . 2.4 pp -57.06 -40.35 76.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.484 ' N ' ' CD1' ' A' ' 128' ' ' LEU . 16.7 t80 -59.43 -68.6 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 129' ' ' TYR . . . -37.88 -33.28 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.092 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.76 -46.95 42.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.1 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.463 HD11 ' CD2' ' A' ' 71' ' ' LEU . 3.4 mm? -49.28 -71.33 0.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . 0.458 ' C ' ' O ' ' A' ' 132' ' ' LEU . 7.7 t-160 -33.88 -70.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.486 ' HA ' ' CD1' ' A' ' 137' ' ' LEU . 42.0 t60 -40.32 -60.01 1.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.917 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 9.9 mmp_? -40.22 -34.38 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.829 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.469 HD11 ' N ' ' A' ' 136' ' ' ILE . 2.3 mm -79.92 -51.73 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.099 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.486 ' CD1' ' HA ' ' A' ' 134' ' ' HIS . 16.4 mt -42.12 -30.17 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -68.81 -39.63 79.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 136' ' ' ILE . 3.3 mt -75.42 -56.39 4.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.91 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.481 ' CG ' ' HA ' ' A' ' 137' ' ' LEU . 5.8 ptp180 -56.91 -12.69 2.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 41.6 t -87.07 -21.84 25.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 39.2 mtp85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.85 -179.908 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.84 0.352 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -116.38 90.09 3.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.4 t -51.01 -73.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.113 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 pp -142.6 144.37 32.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -126.58 132.78 51.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.6 133.64 9.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.82 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -60.0 133.65 56.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.0 t -151.43 178.52 9.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -126.13 145.67 50.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 22.4 tp -108.93 129.54 55.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -129.97 139.86 51.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.642 ' CG1' ' CE1' ' A' ' 116' ' ' PHE . 10.7 m -131.34 149.77 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.46 ' CD1' ' C ' ' A' ' 39' ' ' PHE . 5.6 t80 -91.12 122.42 33.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 42' ' ' THR . 23.5 t0 -114.1 102.68 10.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 40' ' ' ASP . 2.8 ptpp? -35.53 -31.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.486 ' N ' ' O ' ' A' ' 40' ' ' ASP . 37.2 m -57.51 -49.01 77.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 40' ' ' ASP . 28.4 t -93.03 -24.87 18.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 68.51 36.47 2.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 t -163.9 -179.9 6.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 73.0 m95 -73.12 133.09 44.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.46 HG12 ' N ' ' A' ' 48' ' ' GLU . 57.6 t -125.67 143.19 40.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.46 ' N ' HG12 ' A' ' 47' ' ' VAL . 2.2 mt-10 -67.68 110.99 3.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.495 ' CD ' ' O ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -95.98 1.2 52.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 135.89 116.71 1.61 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.53 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -106.29 150.56 25.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.36 . . . . 0.0 110.86 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.467 ' N ' ' HE2' ' A' ' 73' ' ' MET . . . 164.46 -121.0 0.98 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.519 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 43.7 tp -115.4 148.85 38.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.822 0.344 . . . . 0.0 110.945 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.6 tp -139.76 134.91 32.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.18 151.25 31.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.463 ' CD2' ' HD3' ' A' ' 135' ' ' ARG . 2.2 tp -89.94 109.1 20.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -92.49 149.02 21.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 59' ' ' MET . 0.9 OUTLIER -110.33 134.24 52.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.463 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 16.9 ptt? -135.43 148.24 49.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -82.72 135.71 34.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.087 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.446 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -72.46 150.66 43.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.83 -179.759 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.07 -56.5 2.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.146 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -80.87 -6.17 58.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -121.75 -25.07 5.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.446 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 61.39 6.76 8.54 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.512 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.9 t -93.59 174.66 7.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.816 0.341 . . . . 0.0 111.165 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.445 ' CD2' ' OD1' ' A' ' 58' ' ' ASP . 3.3 tm? -68.37 100.03 1.01 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -90.95 166.88 12.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.9 m -149.38 162.61 39.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -153.2 154.01 33.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.458 HD22 ' CD2' ' A' ' 132' ' ' LEU . 9.7 mt -96.87 114.0 25.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.936 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 73' ' ' MET . 2.2 t -112.71 148.99 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.166 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.47 ' C ' ' SD ' ' A' ' 73' ' ' MET . 0.0 OUTLIER -142.46 112.86 7.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.407 ' NH1' HD11 ' A' ' 79' ' ' LEU . 27.8 mtt-85 -100.68 136.42 40.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 26.0 p -78.71 169.62 17.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.132 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -86.0 141.49 29.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.45 -53.19 2.75 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.508 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 t -101.34 128.91 47.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.965 0.412 . . . . 0.0 110.83 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.407 HD11 ' NH1' ' A' ' 74' ' ' ARG . 4.1 mm? -81.4 41.36 0.61 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.937 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -88.92 142.83 27.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.467 HD13 ' N ' ' A' ' 82' ' ' ILE . 0.1 OUTLIER -97.81 138.22 35.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.467 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -128.37 -26.54 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.838 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.454 ' N ' HG12 ' A' ' 82' ' ' ILE . 5.7 tp -126.73 112.5 15.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.4 ' C ' ' OD1' ' A' ' 84' ' ' ASN . 34.9 t-20 -144.9 105.51 4.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.3 t -148.5 152.12 36.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.211 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.8 127.62 42.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.903 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.455 HD22 ' CD1' ' A' ' 71' ' ' LEU . 8.5 mt -58.28 136.82 57.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.579 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 48.3 p90 -120.63 155.46 33.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.441 ' CB ' ' HA ' ' A' ' 140' ' ' ARG . . . -47.87 -47.89 31.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.579 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 2.5 mp0 -82.03 29.04 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.509 ' HA ' ' CE2' ' A' ' 88' ' ' TRP . 1.4 tpp -69.04 133.78 48.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.899 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -98.36 109.53 22.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.946 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.8 tt -147.2 112.71 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.14 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -126.1 142.4 51.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.414 ' HD3' ' CD2' ' A' ' 129' ' ' TYR . 11.2 tptm -77.09 96.73 4.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.96 -29.76 65.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.1 t -169.51 162.89 10.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -68.4 -7.89 35.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.835 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -126.54 -5.69 6.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.956 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 59.9 p -138.36 139.36 38.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 3.8 mt -133.75 144.2 36.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.177 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.603 ' CD2' ' CD1' ' A' ' 117' ' ' LEU . 8.2 m170 -111.47 100.66 9.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.3 pp -116.43 144.69 23.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 44.4 p -99.74 126.73 45.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.187 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.554 ' HB1' ' CD2' ' A' ' 116' ' ' PHE . . . -137.21 160.07 40.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.095 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 24.8 mtt -89.41 156.22 18.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -89.62 156.95 18.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 80.6 p -78.28 -45.28 23.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.06 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -98.75 -45.41 6.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.74 -18.78 62.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.823 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 44.07 48.71 7.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -134.22 145.58 17.64 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 61.0 t -81.95 111.79 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.893 0.378 . . . . 0.0 111.136 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.503 ' HG3' ' CE2' ' A' ' 116' ' ' PHE . 1.9 ptpt -117.94 167.24 11.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.905 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 54.5 t -85.67 105.8 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.172 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.642 ' CE1' ' CG1' ' A' ' 38' ' ' VAL . 64.4 m-85 -96.22 145.19 25.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.603 ' CD1' ' CD2' ' A' ' 102' ' ' HIS . 3.5 tp -108.35 156.91 18.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.851 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 46.6 mt -131.83 96.48 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.061 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.2 t -95.91 106.22 18.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -142.36 172.52 12.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.121 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 122' ' ' SER . 34.8 t -63.34 142.41 58.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 121' ' ' SER . 11.0 p -35.88 -46.07 0.44 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.818 -179.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.21 -53.8 26.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -51.88 -53.02 45.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.882 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 79.2 m -42.91 -60.83 1.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -43.13 -49.55 6.46 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -57.32 -68.49 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.36 . . . . 0.0 110.904 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -44.35 -50.54 9.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.433 ' O ' ' N ' ' A' ' 131' ' ' ALA . 55.1 t80 -60.09 -71.68 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -40.38 -26.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.135 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 129' ' ' TYR . . . -75.31 -64.02 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.458 ' CD2' HD22 ' A' ' 71' ' ' LEU . 5.5 mp -51.93 -58.82 5.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 132' ' ' LEU . 22.3 t-80 -33.34 -64.84 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.852 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.595 ' CD2' ' NH2' ' A' ' 135' ' ' ARG . 3.1 t60 -49.7 -60.46 2.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.595 ' NH2' ' CD2' ' A' ' 134' ' ' HIS . 0.0 OUTLIER -35.97 -31.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.898 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.478 ' N ' ' O ' ' A' ' 134' ' ' HIS . 3.1 mm -77.78 -53.76 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.44 HD11 ' CE1' ' A' ' 133' ' ' HIS . 22.1 mt -44.0 -26.86 0.32 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -74.25 -42.21 60.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.097 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 3.7 mt -74.5 -58.92 2.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.441 ' HA ' ' CB ' ' A' ' 89' ' ' ALA . 6.0 ptm180 -47.79 -19.77 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 2.9 m -83.08 -40.32 20.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.873 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 6.8 mtm105 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.928 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.458 -0.06 0 CA-C-O 120.911 0.386 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.458 ' ND2' ' HB2' ' A' ' 55' ' ' ARG . 17.5 t-20 -75.63 128.91 36.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.0 m -103.6 -34.38 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 pp -151.81 137.65 18.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.403 ' CD ' HD21 ' A' ' 53' ' ' LEU . 14.2 tt0 -138.29 123.59 19.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.435 ' HE1' ' CB ' ' A' ' 120' ' ' ALA . 0.0 OUTLIER -147.17 141.44 26.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -63.31 129.37 39.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.939 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.445 ' SG ' ' CB ' ' A' ' 120' ' ' ALA . 1.5 t -149.8 174.33 12.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.575 ' HD2' ' CZ ' ' A' ' 37' ' ' PHE . 15.3 ttmt -116.76 151.83 35.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.0 tp -123.9 135.2 53.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.575 ' CZ ' ' HD2' ' A' ' 35' ' ' LYS . 73.7 m-85 -124.04 146.82 48.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.487 ' CG1' ' O ' ' A' ' 38' ' ' VAL . 5.5 p -128.51 117.11 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.527 ' CZ ' ' HA ' ' A' ' 44' ' ' GLN . 1.7 t80 -79.46 124.97 28.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 42' ' ' THR . 27.8 t0 -105.25 105.24 15.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.9 ptpp? -39.06 -29.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 40' ' ' ASP . 58.4 m -58.72 -48.68 80.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.203 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.8 t -90.81 -24.51 20.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.83 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.527 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 1.4 mm-40 65.84 37.02 5.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.9 t -153.32 171.73 18.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.44 ' CZ3' ' HB2' ' A' ' 117' ' ' LEU . 72.4 m95 -78.32 120.6 23.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.439 HG11 ' N ' ' A' ' 48' ' ' GLU . 69.3 t -121.3 142.59 36.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.439 ' N ' HG11 ' A' ' 47' ' ' VAL . 4.1 tp10 -60.46 147.99 39.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.821 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.404 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -132.42 -45.59 0.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.896 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -177.41 129.66 1.49 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.508 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.12 139.72 52.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.88 0.371 . . . . 0.0 110.935 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -178.61 -100.83 0.14 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.526 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.403 HD21 ' CD ' ' A' ' 31' ' ' GLN . 19.8 tp -138.94 121.21 15.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.837 0.351 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.9 tp -96.97 142.19 29.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.458 ' HB2' ' ND2' ' A' ' 28' ' ' ASN . 10.2 ptt85 -150.86 148.25 28.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.464 HD12 ' CD ' ' A' ' 135' ' ' ARG . 5.5 tp -106.36 112.83 26.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.944 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -98.75 142.75 29.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -107.01 129.96 54.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.506 ' O ' ' N ' ' A' ' 68' ' ' GLN . 20.9 ptt? -132.84 153.8 50.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.6 151.6 30.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.408 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.6 OUTLIER -88.58 154.64 20.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.823 -179.762 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.11 -51.6 3.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.143 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.86 -6.82 59.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.45 ' HB3' ' NE ' ' A' ' 142' ' ' ARG . 5.5 m-20 -122.53 -18.78 6.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.408 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 53.9 14.63 4.2 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.4 t -102.49 173.89 6.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.806 0.336 . . . . 0.0 111.141 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.421 HD12 ' C ' ' A' ' 67' ' ' LEU . 2.2 tm? -67.18 100.49 0.79 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.959 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.506 ' N ' ' O ' ' A' ' 59' ' ' MET . 5.4 mm-40 -88.5 168.92 12.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.7 m -147.41 167.34 24.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -160.94 162.75 32.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.951 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.405 ' C ' ' CG1' ' A' ' 72' ' ' VAL . 11.3 mt -95.35 157.07 16.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.938 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.457 ' CG2' ' HG2' ' A' ' 55' ' ' ARG . 0.9 OUTLIER -155.03 153.96 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 179.861 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.43 ' O ' ' CD1' ' A' ' 82' ' ' ILE . 8.1 tpt -155.15 107.29 2.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.872 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 58.7 mtm180 -100.31 125.02 46.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.1 p -69.71 145.59 52.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.089 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 77' ' ' GLY . 9.0 pt20 -69.25 -36.83 77.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.961 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 76' ' ' GLN . . . -37.67 -74.67 0.1 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.465 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 79' ' ' LEU . 7.0 t -132.44 48.49 2.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.864 0.364 . . . . 0.0 110.847 -179.729 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 78' ' ' SER . 4.2 mm? 35.14 47.5 0.29 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -94.95 157.65 15.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.453 HD13 ' N ' ' A' ' 82' ' ' ILE . 0.3 OUTLIER -102.02 141.37 34.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.482 HG12 ' N ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -134.88 -30.14 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.779 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.482 ' N ' HG12 ' A' ' 82' ' ' ILE . 7.6 tp -120.04 125.69 48.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -158.42 105.07 1.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 6.9 t -140.9 154.99 46.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.466 ' HG3' ' CE ' ' A' ' 59' ' ' MET . 33.8 ttmt -98.35 124.12 42.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.473 ' CD2' ' HE2' ' A' ' 91' ' ' MET . 8.9 mt -57.0 143.02 39.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.577 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 48.2 p90 -125.81 157.05 38.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.24 -46.59 54.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.577 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 38.8 mm-40 -82.51 31.42 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.864 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.473 ' HE2' ' CD2' ' A' ' 87' ' ' LEU . 1.0 OUTLIER -69.6 141.18 53.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.827 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -110.0 125.45 52.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.1 tt -152.02 130.55 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -139.08 138.43 37.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.1 tptm -88.43 98.2 11.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.65 -42.15 87.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.1 t -152.66 175.91 12.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -77.89 1.41 20.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -126.45 -25.91 3.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 85.5 p -112.94 151.62 30.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 9.2 mt -140.51 136.69 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.077 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.565 ' CD2' HD13 ' A' ' 117' ' ' LEU . 11.5 m170 -110.1 117.97 35.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.2 pt -136.55 153.51 30.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.09 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 14.8 p -102.8 119.62 39.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -138.2 161.29 37.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 24.5 mtt -86.24 179.22 6.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.489 ' OD1' ' CD ' ' A' ' 114' ' ' LYS . 0.8 OUTLIER -117.7 166.83 11.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 72.3 p -91.86 -41.71 10.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -101.26 -45.23 5.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -64.17 -35.97 82.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.826 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 63.11 41.19 8.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.998 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -135.29 148.99 19.82 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.539 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 50.7 t -83.25 94.07 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.93 0.395 . . . . 0.0 111.136 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.562 ' HG3' ' CE1' ' A' ' 116' ' ' PHE . 1.4 ptpm? -110.74 154.18 24.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.3 p -93.25 118.39 38.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.562 ' CE1' ' HG3' ' A' ' 114' ' ' LYS . 82.9 m-85 -98.2 177.8 5.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.565 HD13 ' CD2' ' A' ' 102' ' ' HIS . 3.9 tp -123.83 157.17 34.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.964 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.462 HG21 ' CD2' ' A' ' 128' ' ' LEU . 4.9 mt -134.25 98.17 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 23.1 t -98.14 123.66 42.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.445 ' CB ' ' SG ' ' A' ' 34' ' ' CYS . . . -157.61 177.76 11.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.152 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 48.1 m -63.78 147.07 52.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.914 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 52.3 p -40.54 -46.47 2.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 46.2 tptt -67.45 -68.97 0.34 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -42.94 -66.84 0.33 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.845 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.406 ' OG1' ' CB ' ' A' ' 120' ' ' ALA . 97.7 m -40.05 -41.36 1.22 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.215 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -61.25 -43.46 99.35 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.458 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -54.81 -57.92 9.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.836 0.351 . . . . 0.0 110.923 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.472 ' CD1' HD13 ' A' ' 132' ' ' LEU . 30.9 tp -49.71 -67.66 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -39.61 -67.28 0.23 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -38.26 -35.51 0.17 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.03 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.09 -47.12 25.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.472 HD13 ' CD1' ' A' ' 128' ' ' LEU . 10.6 mp -44.65 -69.13 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . 0.469 ' C ' ' O ' ' A' ' 132' ' ' LEU . 8.0 t-160 -32.97 -60.91 0.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.818 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.428 ' O ' ' C ' ' A' ' 135' ' ' ARG . 29.5 t60 -44.89 -63.66 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.471 ' NE ' HD11 ' A' ' 87' ' ' LEU . 50.6 mtm180 -36.11 -40.91 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.922 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' A' ' 139' ' ' LEU . 1.8 mm -72.28 -54.82 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.207 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 136' ' ' ILE . 70.9 mt -36.16 -45.1 0.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -57.99 -42.64 85.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 136' ' ' ILE . 1.7 mt -72.44 -51.51 19.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 140' ' ' ARG . 1.1 mtp-105 -60.6 -32.11 71.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 23.2 t -62.53 -20.86 65.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . 0.45 ' NE ' ' HB3' ' A' ' 64' ' ' ASP . 8.1 mtp-105 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.826 0.346 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -138.53 154.79 48.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.945 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.42 HG23 ' N ' ' A' ' 30' ' ' LEU . 2.9 m -120.93 -39.65 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.42 ' N ' HG23 ' A' ' 29' ' ' VAL . 3.4 pp -152.75 131.56 12.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.42 ' CG ' HD13 ' A' ' 53' ' ' LEU . 22.0 tt0 -128.36 139.32 52.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.427 ' CE ' HD21 ' A' ' 128' ' ' LEU . 1.0 OUTLIER -161.32 149.26 15.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.855 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -77.69 118.86 20.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.498 ' SG ' ' CB ' ' A' ' 120' ' ' ALA . 1.8 t -139.65 174.91 10.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 27.5 mtpt -113.87 153.44 29.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.6 tp -123.13 117.89 26.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -112.55 123.58 50.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.0 p -105.37 129.13 58.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.534 ' CZ ' ' HA ' ' A' ' 44' ' ' GLN . 18.5 t80 -79.37 111.3 15.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 42' ' ' THR . 31.6 t0 -95.78 106.42 18.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.6 tttt -41.9 -23.93 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 40' ' ' ASP . 36.5 m -61.76 -47.05 86.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.111 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.4 t -96.37 -23.55 16.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.534 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 1.7 mm-40 69.67 31.39 3.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.982 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.3 t -153.21 -177.22 6.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.527 ' CH2' ' HB2' ' A' ' 117' ' ' LEU . 78.2 m95 -75.67 123.48 25.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 56.5 t -118.94 125.21 74.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.131 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -49.66 108.37 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.66 -32.9 13.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 163.64 132.73 1.38 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.541 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 29.8 ptt180 -121.31 137.01 54.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.864 0.364 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.465 ' N ' ' HE3' ' A' ' 73' ' ' MET . . . -176.28 -122.95 0.74 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.42 HD13 ' CG ' ' A' ' 31' ' ' GLN . 33.0 tp -114.5 126.51 55.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.827 0.346 . . . . 0.0 110.925 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.0 tp -112.12 134.94 53.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.966 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.7 ptt-85 -151.27 150.26 30.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.444 ' CD2' ' HD3' ' A' ' 135' ' ' ARG . 5.4 tp -97.89 108.05 20.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.2 p-10 -92.22 145.72 24.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -101.51 138.0 39.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.832 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.516 ' O ' ' N ' ' A' ' 68' ' ' GLN . 24.2 ptt? -151.4 142.78 23.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.24 166.9 20.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.075 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.51 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 1.1 t -87.67 166.73 14.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.815 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.3 t -99.93 -45.59 5.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.129 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -95.18 -11.31 28.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 66' ' ' THR . 25.3 t0 -123.23 -8.19 8.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.51 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 44.03 20.22 0.15 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.502 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 61' ' ' SER . 0.7 OUTLIER -94.12 174.95 6.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 111.088 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -65.74 99.2 0.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' A' ' 59' ' ' MET . 5.9 mm100 -99.54 171.31 8.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 72.9 m -148.45 158.97 44.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.441 ' HB3' ' CE ' ' A' ' 59' ' ' MET . 1.8 ptp180 -146.6 155.97 42.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.476 ' CD1' HD22 ' A' ' 87' ' ' LEU . 12.0 mt -96.21 114.61 26.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 73' ' ' MET . 2.1 t -114.46 147.66 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.465 ' HE3' ' N ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -145.28 115.15 7.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 29.4 mtt180 -105.17 131.23 52.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.4 p -73.07 160.61 31.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.68 30.33 1.37 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.936 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -108.36 -78.02 1.05 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.558 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 39.7 p -128.51 37.76 4.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.861 0.363 . . . . 0.0 110.838 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.8 mt 53.38 42.91 31.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -93.29 140.67 29.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 82' ' ' ILE . 0.1 OUTLIER -90.59 132.43 35.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.411 ' N ' HD12 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -121.65 -24.13 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.061 179.878 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.2 tp -129.18 107.02 9.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.987 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -135.06 98.65 4.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.6 t -139.38 152.96 47.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.463 ' HD3' ' NE2' ' A' ' 68' ' ' GLN . 19.1 ttmt -100.42 123.02 44.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.939 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.476 HD22 ' CD1' ' A' ' 71' ' ' LEU . 8.2 mt -56.36 149.53 16.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.573 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 48.1 p90 -134.9 153.7 51.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -45.34 -48.96 13.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.074 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.573 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 3.4 mp0 -82.22 29.65 0.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.959 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.525 ' HA ' ' CE2' ' A' ' 88' ' ' TRP . 3.2 tpp -70.69 135.08 48.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -95.4 115.84 27.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.0 tt -150.95 116.39 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.088 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -145.91 117.45 8.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.783 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.559 ' CD ' ' CD2' ' A' ' 129' ' ' TYR . 3.9 tttm -58.34 143.44 44.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.823 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -118.6 -18.24 9.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.151 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 6.9 t -162.18 150.8 15.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.421 ' CD ' ' HB2' ' A' ' 122' ' ' SER . 3.2 tt0 -55.26 -18.32 6.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -124.88 26.84 6.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.86 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.412 ' C ' HG13 ' A' ' 101' ' ' ILE . 0.8 OUTLIER -159.89 152.52 21.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.412 HG13 ' C ' ' A' ' 100' ' ' SER . 7.0 mt -144.08 151.05 16.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.136 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.545 ' CD2' ' CD1' ' A' ' 117' ' ' LEU . 8.0 m170 -115.49 101.47 8.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.1 pp -123.66 148.06 27.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 64.8 p -102.95 131.15 50.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.165 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -138.37 168.74 19.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.13 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 28.4 mtt -97.69 144.58 27.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -77.12 158.87 30.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 80.7 p -79.83 -44.28 20.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -97.07 -47.63 5.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -67.13 -18.48 65.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 46.87 32.09 1.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -121.72 159.51 16.29 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.426 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 21.6 t -89.31 137.09 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.92 0.391 . . . . 0.0 111.17 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -143.91 174.43 10.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 41.9 t -93.75 104.93 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -96.84 150.95 20.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.545 ' CD1' ' CD2' ' A' ' 102' ' ' HIS . 4.9 tp -117.95 154.79 31.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 6.5 mt -133.42 101.7 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.6 t -90.52 102.46 15.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.822 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.498 ' CB ' ' SG ' ' A' ' 34' ' ' CYS . . . -131.9 160.33 36.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.118 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.9 m -48.91 158.89 0.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.421 ' HB2' ' CD ' ' A' ' 98' ' ' GLU . 34.3 p -46.12 -39.79 9.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -83.63 -59.49 2.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.421 ' OD1' ' CB ' ' A' ' 32' ' ' MET . 2.6 m-20 -39.71 -45.63 1.74 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 90.8 m -57.52 -53.8 54.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -58.98 -26.92 61.51 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.478 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -67.46 -67.56 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.825 0.345 . . . . 0.0 110.944 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.544 ' C ' ' CD1' ' A' ' 128' ' ' LEU . 0.4 OUTLIER -59.54 -44.48 93.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.559 ' CD2' ' CD ' ' A' ' 95' ' ' LYS . 11.1 t80 -55.23 -46.8 75.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.72 -28.73 69.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.118 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -74.5 -65.63 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.087 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.477 ' O ' ' CD1' ' A' ' 136' ' ' ILE . 5.6 mp -38.41 -66.0 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . 0.452 ' C ' ' O ' ' A' ' 132' ' ' LEU . 7.0 t-80 -33.95 -58.4 0.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.506 ' CD2' HH21 ' A' ' 135' ' ' ARG . 2.7 t60 -52.68 -54.98 25.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.506 HH21 ' CD2' ' A' ' 134' ' ' HIS . 0.0 OUTLIER -42.64 -22.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 -179.89 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.477 ' CD1' ' O ' ' A' ' 132' ' ' LEU . 3.7 mp -95.26 -49.4 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.447 ' HA ' ' CG ' ' A' ' 140' ' ' ARG . 25.7 mt -47.4 -29.32 2.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -73.7 -39.78 64.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.026 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.3 mt -73.44 -54.4 8.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.873 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.447 ' CG ' ' HA ' ' A' ' 137' ' ' LEU . 5.3 ptm180 -54.54 -17.95 3.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.1 m -77.84 -31.48 51.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 16.5 mtt-85 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.9 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.7 t . . . . . 0 C--O 1.23 0.032 0 CA-C-O 120.994 0.426 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -116.25 114.77 24.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.481 HG13 ' CD2' ' A' ' 56' ' ' LEU . 3.9 p -91.0 -38.1 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.126 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.419 HD11 ' C ' ' A' ' 30' ' ' LEU . 1.3 pp -160.75 132.94 6.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.522 ' CD ' ' CD1' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -134.2 148.57 50.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.41 ' HE3' ' CD2' ' A' ' 128' ' ' LEU . 1.7 ptm -166.76 145.94 5.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -69.28 123.88 22.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.431 ' SG ' ' CG2' ' A' ' 118' ' ' ILE . 2.3 t -142.64 173.67 11.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -115.01 159.05 21.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.416 HD21 ' CG ' ' A' ' 49' ' ' ARG . 14.2 tp -128.43 128.96 45.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -125.9 124.25 40.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.439 ' CG2' ' HD3' ' A' ' 114' ' ' LYS . 7.3 p -109.25 139.45 32.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.161 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -89.48 137.95 31.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 42' ' ' THR . 5.5 t70 -127.03 102.11 6.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.808 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 40' ' ' ASP . 1.1 ttmm -38.07 -27.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 40' ' ' ASP . 31.9 m -61.3 -47.68 84.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.0 t -94.65 -23.35 17.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 66.4 36.83 4.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.0 t -152.6 179.05 8.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 74.5 m95 -82.17 98.33 8.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 38' ' ' VAL . 70.5 t -87.25 118.42 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -49.9 121.12 4.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.416 ' CG ' HD21 ' A' ' 36' ' ' LEU . 14.2 tpp180 -93.63 -45.26 7.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 166.73 119.29 0.47 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.471 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.8 145.06 34.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 0.0 110.883 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.529 ' N ' ' CE ' ' A' ' 73' ' ' MET . . . -179.39 -118.38 0.58 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.503 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.522 ' CD1' ' CD ' ' A' ' 31' ' ' GLN . 51.9 tp -114.2 115.9 28.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 0.0 110.903 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.4 tp -105.26 133.96 49.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.467 ' HB3' ' CG ' ' A' ' 31' ' ' GLN . 2.1 ptm180 -151.25 152.75 33.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.481 ' CD2' HG13 ' A' ' 29' ' ' VAL . 3.0 tp -95.68 112.82 24.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -95.65 129.55 42.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.26 107.01 19.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.492 ' O ' ' N ' ' A' ' 68' ' ' GLN . 20.7 ptt? -110.11 156.01 21.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -81.43 157.14 25.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.088 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.419 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 1.0 OUTLIER -91.01 152.57 20.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.888 -179.791 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.29 -47.65 5.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -88.02 -8.06 56.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.909 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -122.39 -18.92 6.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.419 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 57.12 10.47 5.18 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.495 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.2 t -99.6 174.63 6.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.754 0.311 . . . . 0.0 111.189 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -66.33 104.24 1.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.492 ' N ' ' O ' ' A' ' 59' ' ' MET . 5.4 mm-40 -95.71 167.16 11.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.1 m -131.27 163.42 27.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -152.23 158.45 42.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.4 mt -106.09 112.46 25.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.2 t -117.22 146.87 21.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.083 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.529 ' CE ' ' N ' ' A' ' 52' ' ' GLY . 10.6 tpt -153.15 108.95 3.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -103.09 132.32 49.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 21.1 p -72.26 149.92 44.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.62 -35.27 72.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.945 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -37.86 -91.38 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.469 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 79' ' ' LEU . 15.2 m -113.69 42.95 1.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 0.0 110.877 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 78' ' ' SER . 14.1 mt 36.96 50.22 0.86 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 41.7 ttt85 -101.09 148.27 25.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.498 ' CD1' ' N ' ' A' ' 82' ' ' ILE . 0.6 OUTLIER -91.79 141.03 29.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.498 ' N ' ' CD1' ' A' ' 81' ' ' LEU . 0.3 OUTLIER -134.96 -31.12 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.914 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.48 ' N ' HG12 ' A' ' 82' ' ' ILE . 8.8 tp -116.89 135.36 53.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.444 ' OD1' ' C ' ' A' ' 84' ' ' ASN . 8.9 t-20 -169.29 105.1 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.467 HG21 ' CB ' ' A' ' 105' ' ' ALA . 4.3 t -146.94 144.15 29.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.184 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.427 ' CD ' ' O ' ' A' ' 87' ' ' LEU . 0.6 OUTLIER -86.4 128.47 34.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.479 HD13 ' CZ ' ' A' ' 135' ' ' ARG . 20.5 mt -57.68 148.28 25.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.581 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 47.7 p90 -131.8 152.41 50.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.446 ' C ' ' H ' ' A' ' 91' ' ' MET . . . -46.21 -49.17 17.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.103 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.581 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 16.6 mp0 -78.72 26.91 0.23 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.511 ' HA ' ' CE2' ' A' ' 88' ' ' TRP . 0.7 OUTLIER -66.55 140.59 57.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -110.76 124.78 52.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.407 ' CD1' ' HB3' ' A' ' 132' ' ' LEU . 1.4 tt -154.64 127.72 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.043 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -136.35 141.05 43.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 12.3 tptm -83.35 101.21 11.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.93 -50.54 64.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.5 t -146.64 -178.68 6.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -78.71 2.96 17.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.852 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.6 mttt -132.7 -33.13 1.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.9 m -105.83 152.55 23.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.421 ' CD1' HD11 ' A' ' 128' ' ' LEU . 43.2 mt -143.81 146.03 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.516 ' CD2' HD13 ' A' ' 117' ' ' LEU . 12.2 m170 -115.83 114.99 25.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.7 pp -130.52 149.38 33.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 13.7 p -96.82 121.48 38.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.467 ' CB ' HG21 ' A' ' 85' ' ' THR . . . -139.48 154.62 47.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 6.8 mtt -83.99 170.33 14.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -109.57 166.0 11.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 50.5 p -89.81 -39.56 13.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.084 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -100.09 -54.46 2.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 111' ' ' GLN . 4.6 t70 -64.86 -8.79 16.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.8 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 110' ' ' ASP . 16.1 mt-30 35.63 46.3 0.3 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -130.62 155.13 21.01 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.515 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 54.7 t -90.52 98.73 8.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.844 0.354 . . . . 0.0 111.153 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.556 ' HG3' ' CE1' ' A' ' 116' ' ' PHE . 9.4 ptpt -116.66 148.11 41.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.961 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 4.4 p -88.03 117.12 31.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.556 ' CE1' ' HG3' ' A' ' 114' ' ' LYS . 87.4 m-85 -96.45 177.52 5.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.516 HD13 ' CD2' ' A' ' 102' ' ' HIS . 3.7 tp -122.6 156.65 33.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.928 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.431 ' CG2' ' SG ' ' A' ' 34' ' ' CYS . 10.2 mt -134.76 102.22 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 45.4 t -99.58 113.48 25.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -143.47 172.65 12.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.058 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 122' ' ' SER . 3.4 m -60.68 147.28 42.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 121' ' ' SER . 13.3 p -33.8 -54.33 0.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.635 ' HZ3' ' NE2' ' A' ' 127' ' ' GLN . 9.2 tmtm? -65.47 -62.93 1.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -40.19 -60.93 0.96 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 83.9 m -44.99 -37.25 3.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.076 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -69.87 -36.87 74.56 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.635 ' NE2' ' HZ3' ' A' ' 123' ' ' LYS . 3.2 mm-40 -62.44 -60.7 3.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.851 0.358 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.468 HD13 ' N ' ' A' ' 129' ' ' TYR . 1.4 pp -54.36 -42.02 69.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.922 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.523 ' CZ ' ' HB2' ' A' ' 95' ' ' LYS . 25.0 t80 -61.08 -66.54 0.52 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -40.2 -33.66 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.129 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -75.66 -54.05 7.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.121 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.465 ' CD1' ' O ' ' A' ' 128' ' ' LEU . 9.0 mp -39.7 -68.97 0.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . 0.437 ' C ' ' O ' ' A' ' 132' ' ' LEU . 10.0 t-160 -35.69 -66.12 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 135' ' ' ARG . 16.2 t60 -38.5 -63.54 0.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.479 ' CZ ' HD13 ' A' ' 87' ' ' LEU . 50.8 mtm180 -36.94 -44.75 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.467 ' N ' HD13 ' A' ' 136' ' ' ILE . 2.8 mm -62.77 -51.23 74.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.425 ' HA ' ' CG ' ' A' ' 140' ' ' ARG . 20.1 mt -47.69 -39.36 17.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.951 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.63 -27.89 69.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.038 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.43 HD12 ' C ' ' A' ' 88' ' ' TRP . 5.1 mt -82.59 -55.57 4.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.848 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 140' ' ' ARG . 0.0 OUTLIER -60.37 -15.3 24.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.847 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 42.3 t -82.23 -18.03 43.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 4.2 mtm105 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.885 -179.953 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.432 ' CB ' ' OD1' ' A' ' 58' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.864 0.364 . . . . 0.0 110.88 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -114.56 84.63 2.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.2 t -45.41 -62.5 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.177 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 pp -153.5 138.53 17.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.962 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.461 ' CG ' HD13 ' A' ' 53' ' ' LEU . 46.9 tt0 -123.3 123.26 40.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.461 ' HE3' ' CB ' ' A' ' 120' ' ' ALA . 0.1 OUTLIER -156.2 128.39 7.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -55.37 135.6 50.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.6 t -151.21 174.02 13.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -114.49 121.42 43.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.7 tp -103.5 115.59 30.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -110.43 163.38 13.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.578 HG23 ' CE2' ' A' ' 116' ' ' PHE . 3.8 t -124.85 151.18 30.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.514 ' HB2' ' CZ3' ' A' ' 46' ' ' TRP . 66.7 t80 -117.05 134.99 54.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 42' ' ' THR . 53.4 t0 -121.91 95.08 4.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 40' ' ' ASP . 4.6 ptpt -33.72 -34.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 40' ' ' ASP . 58.7 m -56.68 -50.09 73.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.21 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 40' ' ' ASP . 5.1 t -87.69 -27.98 22.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.406 ' NE2' ' O ' ' A' ' 41' ' ' LYS . 1.5 mm-40 67.05 35.65 4.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.978 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 t -146.47 177.75 8.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.514 ' CZ3' ' HB2' ' A' ' 39' ' ' PHE . 71.6 m95 -93.83 111.62 23.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.846 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 84.9 t -102.78 126.0 57.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.187 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -52.91 127.71 24.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -112.6 -49.27 2.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 174.09 122.91 0.7 Allowed Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.454 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.89 159.05 23.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.898 0.38 . . . . 0.0 110.895 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.437 ' N ' ' CE ' ' A' ' 73' ' ' MET . . . 164.35 -106.47 0.27 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.515 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.461 HD13 ' CG ' ' A' ' 31' ' ' GLN . 27.4 tp -120.56 137.75 54.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.864 0.364 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.0 tp -121.31 140.78 51.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.492 ' NH2' ' CG ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -151.5 159.4 44.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.0 tp -115.86 108.28 16.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -92.47 153.38 19.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.432 ' OD1' ' CB ' ' A' ' 27' ' ' SER . 0.6 OUTLIER -116.73 136.95 52.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.88 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.513 ' O ' ' N ' ' A' ' 68' ' ' GLN . 22.2 ptt? -150.14 147.83 28.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.08 170.75 12.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 66' ' ' THR . 0.9 OUTLIER -92.77 165.84 12.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.851 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.405 HG23 ' N ' ' A' ' 63' ' ' ASP . 3.6 t -100.22 -47.75 4.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.174 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.405 ' N ' HG23 ' A' ' 62' ' ' THR . 2.5 m-20 -91.69 -17.32 25.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 66' ' ' THR . 10.9 t0 -116.91 -6.6 11.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.833 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.496 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 42.7 20.87 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.489 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.509 ' O ' ' N ' ' A' ' 61' ' ' SER . 0.8 OUTLIER -97.14 174.86 6.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.771 0.32 . . . . 0.0 111.184 -179.882 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.411 ' CD1' ' C ' ' A' ' 67' ' ' LEU . 2.5 tm? -64.74 99.83 0.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.513 ' N ' ' O ' ' A' ' 59' ' ' MET . 4.7 mm100 -96.82 172.01 8.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.959 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.453 ' HB2' ' CD1' ' A' ' 87' ' ' LEU . 8.7 m -145.53 167.09 23.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.809 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -154.97 150.74 27.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.942 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.2 mt -92.66 147.22 23.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.486 ' CG2' ' HG2' ' A' ' 55' ' ' ARG . 0.9 OUTLIER -146.63 152.35 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.192 179.847 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.437 ' CE ' ' N ' ' A' ' 52' ' ' GLY . 10.8 tpt -154.55 113.31 3.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.91 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.492 ' CG ' ' NH2' ' A' ' 55' ' ' ARG . 21.1 mtp180 -97.02 143.09 28.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.808 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.5 p -88.49 145.36 25.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.201 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -74.83 116.8 15.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 144.56 -72.06 0.36 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 79' ' ' LEU . 7.4 t -124.83 34.77 4.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.859 0.362 . . . . 0.0 110.81 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 78' ' ' SER . 80.9 mt 37.28 47.81 0.73 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -87.3 134.79 33.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.463 HD12 ' N ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -92.23 140.73 29.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.49 HG12 ' N ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -132.07 -28.67 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.853 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.49 ' N ' HG12 ' A' ' 82' ' ' ILE . 7.4 tp -118.68 119.76 35.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -150.9 105.0 3.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.0 t -141.4 149.69 41.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.457 ' HD3' ' NE2' ' A' ' 68' ' ' GLN . 9.1 ttmm -92.47 119.67 32.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.453 ' CD1' ' HB2' ' A' ' 69' ' ' SER . 25.5 mt -56.91 146.43 26.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.567 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 44.7 p90 -127.55 160.95 29.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.972 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.41 -44.99 69.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.127 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.567 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 71.4 mm-40 -84.63 32.11 0.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.464 ' HA ' ' NE1' ' A' ' 88' ' ' TRP . 1.5 tpp -67.41 139.19 57.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -105.98 117.68 34.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.8 tt -149.31 121.02 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.62 150.36 40.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.844 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 16.7 tptp -99.43 98.17 9.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.26 -43.27 82.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.078 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.4 t -167.83 174.81 7.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -77.09 8.26 4.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.949 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -121.58 -39.3 2.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.969 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.405 ' C ' HG13 ' A' ' 101' ' ' ILE . 73.7 p -119.51 154.72 33.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.469 ' CD1' HG22 ' A' ' 125' ' ' THR . 50.8 mt -145.75 144.9 20.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.551 ' NE2' ' CD1' ' A' ' 117' ' ' LEU . 9.4 m170 -114.33 132.66 56.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.5 pp -144.32 147.31 19.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.0 p -97.38 123.35 41.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -142.07 159.4 42.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.41 ' HE1' ' CG2' ' A' ' 113' ' ' VAL . 8.9 mtt -87.53 147.47 25.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -84.22 165.44 18.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.8 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 43.2 p -90.68 -41.47 11.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.075 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -100.43 -45.14 5.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.23 -25.61 68.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 54.73 40.71 32.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -133.81 158.82 23.47 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.474 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.41 ' CG2' ' HE1' ' A' ' 106' ' ' MET . 46.4 t -91.8 99.23 9.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.905 0.383 . . . . 0.0 111.125 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.556 ' HG3' ' CE1' ' A' ' 116' ' ' PHE . 3.2 ptpt -115.34 161.76 18.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 4.4 p -101.56 119.45 49.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.578 ' CE2' HG23 ' A' ' 38' ' ' VAL . 34.1 m-85 -96.94 177.76 5.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.551 ' CD1' ' NE2' ' A' ' 102' ' ' HIS . 4.5 tp -125.9 144.42 50.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.441 HG21 ' CD2' ' A' ' 128' ' ' LEU . 19.4 mt -124.52 105.81 15.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.6 t -106.19 126.69 52.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.831 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.461 ' CB ' ' HE3' ' A' ' 32' ' ' MET . . . -153.61 178.99 9.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.129 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 122' ' ' SER . 24.2 t -56.41 143.88 33.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.854 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 121' ' ' SER . 3.2 p -36.36 -41.36 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -82.28 -61.75 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.939 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -38.04 -39.07 0.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.469 HG22 ' CD1' ' A' ' 101' ' ' ILE . 36.1 m -58.58 -66.66 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -38.58 -34.65 0.27 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.492 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -65.93 -69.51 0.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.859 0.361 . . . . 0.0 110.866 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.441 ' CD2' HG21 ' A' ' 118' ' ' ILE . 1.7 pp -45.8 -38.49 7.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 95' ' ' LYS . 38.2 t80 -64.93 -65.57 0.65 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -41.29 -38.27 1.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.49 -72.74 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.05 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 10.8 mp -39.4 -67.54 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -40.9 -66.74 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.812 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 55.2 t60 -43.77 -51.6 7.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -48.01 -32.72 6.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' A' ' 139' ' ' LEU . 3.6 mm -75.78 -53.89 14.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 43.0 mt -39.36 -37.92 0.49 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.98 -39.79 90.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 136' ' ' ILE . 2.6 mt -72.45 -47.64 47.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 12.4 mtp180 -59.63 -42.41 92.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.4 m -55.3 -26.03 37.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . 0.459 ' CZ ' ' HB ' ' A' ' 66' ' ' THR . 39.8 mtt-85 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.93 0.395 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -116.59 123.11 46.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.532 HG23 ' N ' ' A' ' 30' ' ' LEU . 16.7 m -93.51 -27.58 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.188 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.532 ' N ' HG23 ' A' ' 29' ' ' VAL . 2.5 pp -169.35 126.97 0.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.896 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.571 ' CD ' ' CD1' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -129.94 142.75 50.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.35 139.06 5.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -61.51 129.84 43.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.8 t -148.84 172.69 14.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.575 ' HD2' ' CZ ' ' A' ' 37' ' ' PHE . 17.2 ttmt -113.9 149.43 35.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.8 tp -118.98 125.3 49.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.575 ' CZ ' ' HD2' ' A' ' 35' ' ' LYS . 76.9 m-85 -112.96 141.91 46.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.952 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.435 ' CG1' ' O ' ' A' ' 38' ' ' VAL . 5.1 p -126.99 122.46 60.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.202 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.534 ' CE2' ' HA ' ' A' ' 41' ' ' LYS . 66.2 t80 -62.96 137.61 58.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 42' ' ' THR . 39.6 t0 -119.88 86.12 2.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.821 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.534 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -33.37 -33.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.92 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.508 ' N ' ' O ' ' A' ' 40' ' ' ASP . 23.2 m -60.72 -49.66 76.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.133 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 40' ' ' ASP . 42.4 t -94.44 -8.54 38.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.819 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 41' ' ' LYS . 1.5 mm-40 52.5 40.98 30.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.4 m -155.92 168.65 26.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -74.38 133.45 42.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.435 HG11 ' N ' ' A' ' 48' ' ' GLU . 40.5 t -127.25 140.79 48.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.079 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.435 ' N ' HG11 ' A' ' 47' ' ' VAL . 21.4 tt0 -60.85 114.76 3.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.812 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.408 ' NH1' ' HB ' ' A' ' 82' ' ' ILE . 0.5 OUTLIER -93.58 -45.01 7.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -177.13 129.01 1.39 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -117.33 138.45 51.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.845 0.355 . . . . 0.0 110.941 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.487 ' N ' ' HE3' ' A' ' 73' ' ' MET . . . 178.24 -126.73 1.1 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.488 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.571 ' CD1' ' CD ' ' A' ' 31' ' ' GLN . 55.9 tp -114.86 113.51 24.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.873 0.368 . . . . 0.0 110.956 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.414 ' CD2' HD23 ' A' ' 128' ' ' LEU . 3.4 tp -100.4 134.97 42.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.8 ptt180 -151.51 153.86 35.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.457 HD22 ' NE ' ' A' ' 135' ' ' ARG . 4.8 tp -98.84 111.2 23.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -93.26 139.1 31.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -100.67 124.47 46.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.82 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.499 ' O ' ' N ' ' A' ' 68' ' ' GLN . 24.8 ptt? -128.39 153.97 46.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.844 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -80.36 152.31 28.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.091 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.457 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.7 OUTLIER -87.86 153.37 21.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.818 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.61 -45.64 6.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.138 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -90.12 -10.71 43.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.463 ' HB3' ' NE ' ' A' ' 142' ' ' ARG . 37.4 m-20 -120.48 -16.71 8.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.457 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 54.64 12.32 3.37 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.405 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.2 t -100.76 174.63 5.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 0.0 111.155 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -67.36 100.76 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 59' ' ' MET . 6.1 mm-40 -88.69 169.23 11.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.1 m -135.82 160.9 37.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.6 ttm-85 -152.91 150.77 29.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.44 ' CD1' HD22 ' A' ' 87' ' ' LEU . 4.3 mt -96.77 114.7 26.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.1 t -115.75 147.22 19.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.487 ' HE3' ' N ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -148.43 109.81 4.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 27.8 mtp180 -105.9 129.3 54.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.0 p -72.58 144.35 47.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.457 ' O ' ' C ' ' A' ' 77' ' ' GLY . 1.9 pp0? -57.43 -44.99 85.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 76' ' ' GLN . . . -33.67 -84.32 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.523 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 86.1 p -130.6 46.04 2.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.941 0.4 . . . . 0.0 110.83 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.8 mp 41.41 38.5 0.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -76.85 110.04 11.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.817 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.75 130.4 44.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.423 HG12 ' N ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -126.32 -26.01 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.078 179.858 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.423 ' N ' HG12 ' A' ' 82' ' ' ILE . 9.4 tp -124.09 129.78 51.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -161.58 105.02 1.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.404 HG23 ' CB ' ' A' ' 105' ' ' ALA . 4.8 t -148.33 132.39 17.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.4 ' HG3' ' CE ' ' A' ' 59' ' ' MET . 20.2 ttmt -75.51 125.06 28.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.466 ' CD2' ' HE2' ' A' ' 91' ' ' MET . 16.4 mt -58.11 148.21 27.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.592 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 46.1 p90 -129.67 157.86 40.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.35 -44.21 65.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.071 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.592 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 50.1 mm-40 -84.06 32.54 0.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.469 ' HA ' ' NE1' ' A' ' 88' ' ' TRP . 1.9 tpp -72.41 145.46 47.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -108.72 116.59 32.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.435 HD13 ' CD2' ' A' ' 132' ' ' LEU . 1.1 tt -149.02 123.41 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.136 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -130.25 144.6 51.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 16.7 tptp -80.46 101.34 9.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.417 ' HB2' ' CD2' ' A' ' 102' ' ' HIS . . . -71.2 -44.0 66.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.174 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.1 m -167.07 -175.91 3.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 125' ' ' THR . 7.7 tt0 -72.11 -33.64 68.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -112.68 28.11 9.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.4 p -159.57 144.18 15.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 13.2 mt -141.87 153.52 19.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.15 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.553 ' CD2' ' CD1' ' A' ' 117' ' ' LEU . 8.8 m-70 -122.95 119.84 31.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.3 pp -139.49 147.91 23.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 16.1 p -97.81 125.68 42.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.404 ' CB ' HG23 ' A' ' 85' ' ' THR . . . -143.93 158.62 43.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.155 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 9.6 mtt -86.69 161.44 18.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -103.8 164.34 11.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.818 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 68.4 p -91.86 -34.61 14.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.182 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -100.77 -51.32 3.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.832 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -64.15 -25.83 68.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 53.76 43.67 30.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -139.16 151.18 21.67 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 51.7 t -81.24 97.59 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.895 0.379 . . . . 0.0 111.109 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.581 ' HG3' ' CZ ' ' A' ' 116' ' ' PHE . 0.5 OUTLIER -112.9 157.82 20.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 6.5 p -98.52 116.16 40.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.173 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.581 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 70.0 m-85 -95.8 177.57 5.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.553 ' CD1' ' CD2' ' A' ' 102' ' ' HIS . 3.3 tp -122.98 158.11 31.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.971 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.471 HG23 ' CD2' ' A' ' 128' ' ' LEU . 2.9 mt -134.92 103.15 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.172 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 13.3 t -102.29 120.23 40.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.4 ' HB1' ' CB ' ' A' ' 124' ' ' ASP . . . -151.89 172.48 16.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.061 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.468 ' O ' ' C ' ' A' ' 122' ' ' SER . 8.8 m -65.16 146.99 54.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.826 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.468 ' C ' ' O ' ' A' ' 121' ' ' SER . 30.4 p -33.27 -45.31 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.783 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 24.9 tptt -68.06 -61.71 1.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.4 ' CB ' ' HB1' ' A' ' 120' ' ' ALA . 44.4 m-20 -44.46 -59.87 2.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.479 ' CB ' ' O ' ' A' ' 98' ' ' GLU . 21.8 m -46.97 -64.21 0.84 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.158 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -39.52 -46.13 2.73 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -57.7 -66.02 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.329 . . . . 0.0 110.929 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.473 ' HG ' ' CD1' ' A' ' 132' ' ' LEU . 7.5 tp -45.35 -69.34 0.14 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.961 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 95' ' ' LYS . 41.6 t80 -41.19 -59.55 1.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.976 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -46.35 -38.07 8.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.126 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 132' ' ' LEU . . . -72.04 -60.15 2.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.473 ' CD1' ' HG ' ' A' ' 128' ' ' LEU . 3.4 mp -36.72 -69.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.963 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . 0.454 ' C ' ' O ' ' A' ' 132' ' ' LEU . 11.2 t-160 -33.53 -55.52 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.414 ' CD2' ' C ' ' A' ' 134' ' ' HIS . 2.1 t60 -55.91 -44.87 78.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 132' ' ' LEU . 72.7 mtt180 -48.87 -37.85 20.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.47 ' N ' HD13 ' A' ' 136' ' ' ILE . 2.1 mm -73.88 -47.21 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.141 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.465 ' HA ' ' CG ' ' A' ' 140' ' ' ARG . 38.8 mt -44.12 -40.27 4.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.11 -32.49 74.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 136' ' ' ILE . 2.1 mt -83.26 -57.95 3.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.465 ' CG ' ' HA ' ' A' ' 137' ' ' LEU . 2.1 ptm180 -54.68 -25.21 25.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.5 m -68.89 -27.25 65.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . 0.463 ' NE ' ' HB3' ' A' ' 64' ' ' ASP . 13.6 mtp85 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.5 m . . . . . 0 C--O 1.23 0.031 0 CA-C-O 120.982 0.42 . . . . 0.0 110.79 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -117.17 116.82 28.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.484 HG13 ' N ' ' A' ' 30' ' ' LEU . 8.8 p -96.88 -30.72 3.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.104 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.484 ' N ' HG13 ' A' ' 29' ' ' VAL . 3.2 pp -166.92 133.01 2.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.424 ' CD ' HD23 ' A' ' 53' ' ' LEU . 35.7 tt0 -132.42 140.35 48.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.958 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.06 136.83 5.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -63.85 127.31 30.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.435 ' SG ' ' CG2' ' A' ' 118' ' ' ILE . 1.8 t -145.06 -179.24 6.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -126.69 156.32 41.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.518 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 10.8 tp -119.86 139.71 51.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.518 ' CD1' ' O ' ' A' ' 36' ' ' LEU . 12.9 m-85 -140.86 137.65 33.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.551 ' CG1' ' CE1' ' A' ' 116' ' ' PHE . 6.9 m -122.08 153.42 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -90.76 130.77 36.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 42' ' ' THR . 18.5 t0 -125.59 106.23 9.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -38.4 -26.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.978 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.495 ' N ' ' O ' ' A' ' 40' ' ' ASP . 29.4 m -60.63 -48.17 82.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.1 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.0 m -95.44 -23.13 17.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 67.13 33.1 5.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.4 m -162.2 -177.13 5.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 63.9 m95 -76.54 127.76 33.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.454 HG12 ' N ' ' A' ' 48' ' ' GLU . 90.6 t -118.1 152.87 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.454 ' N ' HG12 ' A' ' 47' ' ' VAL . 20.2 tt0 -71.6 114.95 10.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.449 ' CG ' HG22 ' A' ' 38' ' ' VAL . 0.4 OUTLIER -105.58 -43.48 4.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 -179.867 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -174.18 117.8 0.65 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.6 ptt85 -115.61 141.22 48.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 0.0 110.862 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.445 ' N ' ' CE ' ' A' ' 73' ' ' MET . . . 169.89 -126.98 1.41 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.516 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.424 HD23 ' CD ' ' A' ' 31' ' ' GLN . 47.5 tp -102.04 144.72 30.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.891 0.377 . . . . 0.0 110.924 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.451 ' CD2' HD21 ' A' ' 128' ' ' LEU . 4.1 tp -138.24 131.66 30.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.943 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.37 151.12 31.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.456 HD22 ' NE ' ' A' ' 135' ' ' ARG . 4.5 tp -90.82 112.4 24.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.41 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 5.1 p30 -92.19 135.38 34.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.471 ' OD1' ' C ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -93.6 141.81 28.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 24.9 ptt? -152.87 147.39 25.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.11 152.02 23.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.46 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.5 OUTLIER -82.39 156.19 24.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.752 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.95 -53.77 3.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.148 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -84.01 -11.61 56.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -117.78 -18.01 9.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.46 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 52.42 14.08 2.14 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.453 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.462 HG23 ' NE ' ' A' ' 142' ' ' ARG . 11.9 t -97.53 175.0 6.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.756 0.312 . . . . 0.0 111.199 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.512 ' CD1' ' O ' ' A' ' 67' ' ' LEU . 2.7 tm? -66.52 99.43 0.57 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.96 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.49 ' NE2' ' HZ3' ' A' ' 86' ' ' LYS . 6.5 mm-40 -93.9 168.38 11.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.3 m -154.89 162.39 41.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -148.24 165.33 31.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.7 mt -105.37 122.93 46.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.3 t -124.68 146.79 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.165 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.445 ' CE ' ' N ' ' A' ' 52' ' ' GLY . 10.2 tpt -146.9 108.98 4.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 22.8 mtp85 -95.77 135.03 38.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.2 p -77.55 155.68 31.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -77.11 167.11 22.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.05 -47.47 2.26 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.478 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 56.1 p -143.99 137.94 28.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 0.0 110.85 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.495 ' CD2' ' N ' ' A' ' 79' ' ' LEU . 1.2 mm? -68.19 71.22 0.17 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -109.18 110.3 21.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.412 ' CD1' ' N ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -76.56 134.11 39.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.412 ' N ' ' CD1' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -127.31 -27.68 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.885 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.0 tp -121.0 115.85 23.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -147.01 105.0 3.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.465 HG23 ' CB ' ' A' ' 105' ' ' ALA . 4.6 t -146.26 156.37 43.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.49 ' HZ3' ' NE2' ' A' ' 68' ' ' GLN . 3.7 tmmm? -93.27 149.79 20.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.958 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.424 ' O ' ' CD ' ' A' ' 86' ' ' LYS . 26.2 mt -88.7 133.34 34.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.87 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.604 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 46.8 p90 -120.68 158.08 28.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.21 -42.62 66.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.071 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.604 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 70.2 mm-40 -85.08 32.11 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.481 ' HA ' ' NE1' ' A' ' 88' ' ' TRP . 2.3 ttm -77.02 140.6 40.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -98.33 116.41 30.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.405 ' CD1' ' HB3' ' A' ' 132' ' ' LEU . 2.1 tt -151.83 117.66 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -134.69 130.9 37.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.821 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.504 ' HD3' ' CD2' ' A' ' 129' ' ' TYR . 12.4 tptm -62.84 93.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.39 -48.35 81.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 t -149.23 172.6 14.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -70.0 -22.74 63.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -112.95 -8.11 13.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 69.9 m -127.76 150.28 49.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.894 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 8.7 mt -133.41 138.64 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.551 ' CD2' HD11 ' A' ' 117' ' ' LEU . 7.2 m170 -105.25 107.62 18.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -130.96 147.24 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 42.4 p -103.26 127.26 50.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.465 ' CB ' HG23 ' A' ' 85' ' ' THR . . . -144.34 169.72 17.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 28.2 mtt -99.39 163.19 12.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -106.32 157.42 17.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.833 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 78.1 p -79.67 -36.16 38.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.06 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -98.1 -50.97 4.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.838 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 111' ' ' GLN . 3.0 t70 -70.11 -12.46 61.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 110' ' ' ASP . 14.6 mt-30 34.54 47.23 0.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.815 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -140.21 149.63 21.0 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.442 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 64.6 t -79.33 107.51 11.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.863 0.363 . . . . 0.0 111.142 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.547 ' HG3' ' CE2' ' A' ' 116' ' ' PHE . 0.6 OUTLIER -119.15 158.36 26.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 179.874 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 82.2 t -81.87 109.54 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.161 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.551 ' CE1' ' CG1' ' A' ' 38' ' ' VAL . 57.3 m-85 -97.54 156.1 16.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.551 HD11 ' CD2' ' A' ' 102' ' ' HIS . 3.2 tp -122.5 156.66 33.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.435 ' CG2' ' SG ' ' A' ' 34' ' ' CYS . 32.5 mt -131.83 95.63 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.074 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 36.8 t -87.77 100.26 12.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -132.44 172.34 12.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 123' ' ' LYS . 2.7 t -68.16 144.7 54.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 121' ' ' SER . 24.0 p -37.1 -32.25 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.834 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 121' ' ' SER . 19.9 tptm -78.32 -59.51 2.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.882 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -55.79 -53.73 53.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 52.5 m -41.02 -49.93 3.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.147 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -57.37 -44.87 93.38 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -57.54 -60.3 3.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.751 0.31 . . . . 0.0 110.859 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.451 HD21 ' CD2' ' A' ' 54' ' ' LEU . 0.7 OUTLIER -50.95 -67.67 0.23 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.946 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.504 ' CD2' ' HD3' ' A' ' 95' ' ' LYS . 40.6 t80 -46.4 -60.71 2.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -41.41 -45.25 3.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.06 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 132' ' ' LEU . . . -63.78 -62.58 1.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.471 ' O ' ' C ' ' A' ' 133' ' ' HIS . 0.6 OUTLIER -37.98 -70.88 0.09 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . 0.471 ' C ' ' O ' ' A' ' 132' ' ' LEU . 3.0 t-160 -32.89 -68.58 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 135' ' ' ARG . 11.0 t60 -41.64 -61.29 1.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.842 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.456 ' NE ' HD22 ' A' ' 56' ' ' LEU . 12.3 mmt180 -35.99 -39.86 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.819 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.41 HG12 ' HB3' ' A' ' 91' ' ' MET . 4.4 mp -83.62 -44.49 18.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.167 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.418 HD22 ' CE1' ' A' ' 133' ' ' HIS . 83.1 mt -47.26 -29.32 2.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.917 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -77.82 -30.35 51.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.163 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 5.7 mt -78.93 -56.7 4.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -45.34 -28.76 0.89 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.811 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 40.1 t -70.37 -50.16 41.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . 0.462 ' NE ' HG23 ' A' ' 66' ' ' THR . 4.2 mtm105 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.2 m . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.858 0.361 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -141.87 134.14 27.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.441 ' CG2' HD22 ' A' ' 56' ' ' LEU . 4.4 m -108.89 -33.08 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.409 ' N ' HG21 ' A' ' 29' ' ' VAL . 4.0 pp -156.74 134.17 10.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.412 ' CG ' ' CD1' ' A' ' 53' ' ' LEU . 33.0 tt0 -134.83 132.41 38.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.476 ' HE2' ' CB ' ' A' ' 120' ' ' ALA . 0.2 OUTLIER -155.7 133.97 11.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.911 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -62.26 123.21 17.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 119' ' ' SER . 1.6 t -138.91 -176.25 4.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.437 ' HD3' ' CZ ' ' A' ' 37' ' ' PHE . 33.7 tttp -125.35 151.92 45.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.403 HD22 ' CE1' ' A' ' 116' ' ' PHE . 11.9 tp -115.57 139.46 50.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.437 ' CZ ' ' HD3' ' A' ' 35' ' ' LYS . 64.2 m-85 -130.69 154.85 47.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.833 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.478 ' CG1' ' CE1' ' A' ' 116' ' ' PHE . 2.5 m -144.15 144.08 22.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.138 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.401 ' CZ ' ' HA ' ' A' ' 44' ' ' GLN . 29.4 t80 -89.5 124.14 34.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 42' ' ' THR . 4.8 t0 -118.53 105.04 11.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 40' ' ' ASP . 11.4 ttmt -33.95 -33.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.924 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 40' ' ' ASP . 32.9 m -56.84 -51.01 70.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.144 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 40' ' ' ASP . 44.8 t -89.2 -26.87 21.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.889 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.401 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 1.5 mm-40 68.76 36.11 2.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.86 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 t -165.55 -177.82 4.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.806 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 73.3 m95 -73.87 132.35 42.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.454 HG12 ' N ' ' A' ' 48' ' ' GLU . 92.9 t -124.15 148.89 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.15 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.454 ' N ' HG12 ' A' ' 47' ' ' VAL . 39.1 tt0 -70.3 115.28 9.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -96.07 -43.08 7.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -176.81 126.01 1.08 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -112.29 144.86 41.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.91 0.386 . . . . 0.0 110.818 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.45 ' N ' ' HE3' ' A' ' 73' ' ' MET . . . 165.41 -124.35 1.24 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.469 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.412 ' CD1' ' CG ' ' A' ' 31' ' ' GLN . 53.6 tp -108.83 145.57 35.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.819 0.343 . . . . 0.0 110.922 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.5 tp -141.5 130.1 22.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.466 ' NH2' ' NE ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -151.49 151.14 31.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.825 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.441 HD22 ' CG2' ' A' ' 29' ' ' VAL . 2.3 tp -89.65 111.04 21.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -94.53 154.12 17.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.494 ' OD1' ' CD2' ' A' ' 67' ' ' LEU . 6.2 t0 -108.26 142.36 38.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.517 ' O ' ' N ' ' A' ' 68' ' ' GLN . 18.9 ptt? -150.06 146.7 27.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.16 156.59 31.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.17 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.479 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.5 OUTLIER -87.81 158.14 18.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.865 -179.773 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.77 -49.05 4.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.182 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -88.43 -12.73 42.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -117.29 -18.22 9.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.479 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 52.81 20.6 8.27 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.505 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.471 HG21 ' NE ' ' A' ' 142' ' ' ARG . 11.3 t -105.36 174.92 5.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.826 0.346 . . . . 0.0 111.134 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.494 ' CD2' ' OD1' ' A' ' 58' ' ' ASP . 2.5 tm? -65.5 99.38 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.96 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.517 ' N ' ' O ' ' A' ' 59' ' ' MET . 6.9 mm-40 -94.18 171.6 8.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.463 ' CB ' ' HD3' ' A' ' 135' ' ' ARG . 50.1 m -151.64 160.72 43.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.87 170.54 19.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.0 mt -105.28 118.36 36.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.454 HG21 ' ND2' ' A' ' 84' ' ' ASN . 2.1 t -115.19 148.79 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.471 ' C ' ' SD ' ' A' ' 73' ' ' MET . 0.0 OUTLIER -148.95 116.59 6.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.466 ' NE ' ' NH2' ' A' ' 55' ' ' ARG . 68.6 mtt180 -109.9 128.68 55.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.8 p -72.89 159.52 33.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.106 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -85.82 115.72 23.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 148.64 -77.44 0.24 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.523 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.3 m -122.5 36.0 4.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.953 0.406 . . . . 0.0 110.9 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 40.03 49.89 2.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -85.61 126.32 33.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.464 HD13 ' N ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -84.53 137.99 33.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.464 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -131.7 -29.97 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.08 179.899 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.461 ' N ' HG12 ' A' ' 82' ' ' ILE . 13.8 tp -119.56 124.88 47.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.454 ' ND2' HG21 ' A' ' 72' ' ' VAL . 2.2 t-20 -156.84 105.03 2.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.6 t -144.93 149.11 34.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.472 ' HD3' ' NE2' ' A' ' 68' ' ' GLN . 31.7 ttmt -91.67 121.14 33.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.9 mt -56.12 139.3 47.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.602 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 47.8 p90 -125.86 155.55 41.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.445 ' C ' ' H ' ' A' ' 91' ' ' MET . . . -54.11 -44.87 71.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.602 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 72.9 mm-40 -78.93 29.61 0.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.954 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.514 ' HA ' ' NE1' ' A' ' 88' ' ' TRP . 3.1 ttm -74.34 147.26 42.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -113.01 110.88 21.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.6 tt -141.99 111.87 2.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -112.06 135.8 52.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 12.8 tptp -84.83 98.28 10.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.85 -37.77 76.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.087 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.12 174.19 2.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.799 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -78.48 9.28 4.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -118.8 -31.35 4.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 52.1 p -133.16 152.58 51.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.813 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.408 ' CD1' HG21 ' A' ' 125' ' ' THR . 14.9 mt -140.33 138.51 36.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.103 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.429 ' CD2' HD12 ' A' ' 117' ' ' LEU . 12.8 m170 -103.16 116.59 32.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.3 pp -131.53 144.78 36.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 18.4 p -98.27 128.67 44.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -149.18 159.75 43.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.05 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 12.7 mtm -89.6 173.7 8.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -110.81 161.06 16.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.864 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 62.2 p -86.37 -37.57 18.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -99.27 -48.9 4.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -70.41 -20.21 62.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.792 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 45.1 48.26 9.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -139.88 154.88 24.06 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.462 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 93.3 t -87.95 119.92 36.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.934 0.397 . . . . 0.0 111.181 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.48 ' HD2' ' CZ ' ' A' ' 116' ' ' PHE . 8.8 ptpt -131.84 162.55 30.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 90.5 t -84.9 108.61 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.156 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.48 ' CZ ' ' HD2' ' A' ' 114' ' ' LYS . 55.3 m-85 -96.13 157.4 15.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.429 HD12 ' CD2' ' A' ' 102' ' ' HIS . 6.1 tp -123.77 153.58 40.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.939 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.425 ' N ' ' HG ' ' A' ' 117' ' ' LEU . 62.4 mt -126.19 95.98 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.405 ' O ' ' SG ' ' A' ' 34' ' ' CYS . 26.8 t -91.68 112.55 24.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.476 ' CB ' ' HE2' ' A' ' 32' ' ' MET . . . -147.21 178.17 8.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.0 t -70.5 160.18 32.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 10.0 p -44.31 -34.23 1.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 19.8 tptm -81.1 -67.43 0.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.46 ' HB3' ' CE ' ' A' ' 32' ' ' MET . 39.4 m-20 -41.24 -59.39 1.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.811 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.408 HG21 ' CD1' ' A' ' 101' ' ' ILE . 98.6 m -43.28 -56.33 3.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -48.0 -51.21 19.75 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.46 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -46.83 -69.41 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.828 0.347 . . . . 0.0 110.892 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.4 HD21 ' CE ' ' A' ' 32' ' ' MET . 2.0 mm? -38.35 -69.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.948 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 95' ' ' LYS . 72.3 t80 -44.19 -50.5 8.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.44 -28.36 59.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.085 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -83.85 -51.07 7.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.18 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 133' ' ' HIS . 25.9 mt -53.71 -67.35 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . 0.449 ' C ' ' O ' ' A' ' 132' ' ' LEU . 12.7 t-80 -33.56 -62.07 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -52.93 -47.68 67.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.463 ' HD3' ' CB ' ' A' ' 69' ' ' SER . 2.7 mmp_? -52.68 -37.95 59.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.801 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.464 HD12 ' N ' ' A' ' 136' ' ' ILE . 3.1 mm -67.96 -48.09 76.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.463 ' HA ' ' CG ' ' A' ' 140' ' ' ARG . 22.4 mt -46.86 -41.99 16.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.57 -40.85 93.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.065 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.3 mt -67.9 -51.67 45.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.463 ' CG ' ' HA ' ' A' ' 137' ' ' LEU . 10.4 ptm180 -65.04 -21.42 66.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 18.7 t -73.4 -29.48 62.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.8 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . 0.471 ' NE ' HG21 ' A' ' 66' ' ' THR . 20.8 mtt-85 . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.489 ' CB ' ' OD1' ' A' ' 58' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.931 0.396 . . . . 0.0 110.809 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -103.39 108.06 19.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.506 ' CG2' ' N ' ' A' ' 30' ' ' LEU . 2.3 m -77.82 -44.92 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.506 ' N ' ' CG2' ' A' ' 29' ' ' VAL . 3.6 pp -159.63 150.4 19.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.479 ' CG ' HD12 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -142.7 147.61 35.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.457 ' N ' ' HG2' ' A' ' 31' ' ' GLN . 2.7 ptm -168.55 143.64 3.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -72.86 117.49 14.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.95 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 t -134.61 176.05 8.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -120.83 137.43 54.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.457 ' CD2' ' CD1' ' A' ' 116' ' ' PHE . 5.8 tp -103.05 137.01 41.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -136.34 117.78 14.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.655 ' CG1' ' CE1' ' A' ' 116' ' ' PHE . 28.6 m -109.56 152.33 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -87.02 127.31 35.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 42' ' ' THR . 66.9 t0 -119.64 98.62 6.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 40' ' ' ASP . 2.9 ttmm -33.54 -33.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 40' ' ' ASP . 86.4 m -55.38 -50.68 69.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 40' ' ' ASP . 5.9 p -91.59 -25.99 18.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.412 ' NE2' ' O ' ' A' ' 41' ' ' LYS . 1.0 OUTLIER 68.8 30.7 4.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 56.0 m -149.92 -177.69 6.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 85.1 m95 -81.69 100.65 9.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.963 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 89.2 t -99.19 130.84 47.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.125 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -68.61 134.57 50.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.08 -5.77 19.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 146.97 124.74 1.57 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.418 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.75 156.58 20.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.881 0.372 . . . . 0.0 110.825 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.476 ' N ' ' HE1' ' A' ' 73' ' ' MET . . . 163.99 -119.49 0.88 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.525 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.479 HD12 ' CG ' ' A' ' 31' ' ' GLN . 37.2 tp -112.19 134.56 53.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.822 0.344 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.7 tp -127.55 131.48 50.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.915 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.59 150.78 30.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.407 HD23 ' CB ' ' A' ' 131' ' ' ALA . 3.5 tp -94.36 117.69 30.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -102.6 143.25 32.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.803 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.489 ' OD1' ' CB ' ' A' ' 27' ' ' SER . 0.5 OUTLIER -100.19 145.2 28.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 179.847 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.495 ' O ' ' N ' ' A' ' 68' ' ' GLN . 24.6 ptt? -151.22 151.86 32.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -82.33 154.19 25.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.056 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.434 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 1.1 t -87.31 157.91 19.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.42 -55.2 2.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.78 -6.84 59.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -122.0 -20.47 6.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.434 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 55.39 12.63 4.62 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.463 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.2 t -98.15 172.78 7.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 0.0 111.172 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -66.2 100.96 0.66 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 59' ' ' MET . 6.0 mm-40 -92.15 167.83 11.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.405 ' CB ' HD12 ' A' ' 87' ' ' LEU . 49.5 m -136.87 159.66 41.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -148.19 152.85 37.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.446 ' CD1' HD22 ' A' ' 87' ' ' LEU . 13.8 mt -104.54 120.05 40.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.424 HG11 ' N ' ' A' ' 73' ' ' MET . 2.2 t -123.43 147.23 27.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.068 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.476 ' HE1' ' N ' ' A' ' 52' ' ' GLY . 10.9 tpt -148.32 105.86 3.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 58.4 mtm180 -90.89 138.3 31.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.832 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.421 HG22 ' CD1' ' A' ' 82' ' ' ILE . 19.0 p -91.74 132.0 36.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.076 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -47.87 170.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.91 -75.71 2.17 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.433 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 97.1 p -122.33 22.19 10.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.903 0.382 . . . . 0.0 110.883 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.2 mp 40.43 41.17 0.99 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.9 ttt-85 -70.59 136.87 49.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.422 ' C ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -87.36 128.55 35.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.421 ' CD1' HG22 ' A' ' 75' ' ' THR . 0.2 OUTLIER -127.2 -16.01 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.113 179.888 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.422 HD13 ' N ' ' A' ' 84' ' ' ASN . 2.3 tp -132.22 124.88 29.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.422 ' N ' HD13 ' A' ' 83' ' ' LEU . 2.7 t-20 -157.88 105.57 1.99 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.842 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.405 HG22 ' CB ' ' A' ' 105' ' ' ALA . 4.8 t -143.68 141.51 30.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.466 ' HD2' ' NE2' ' A' ' 68' ' ' GLN . 13.6 ttpt -84.75 117.03 23.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.461 ' CD2' ' HE3' ' A' ' 91' ' ' MET . 8.2 mt -56.51 148.06 20.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.548 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 40.5 p90 -129.93 161.04 31.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.29 -46.13 72.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.112 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.548 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 40.9 mm-40 -83.35 32.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.962 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.484 ' HA ' ' CE2' ' A' ' 88' ' ' TRP . 4.3 tpp -73.99 141.08 45.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -101.05 105.82 17.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.1 tt -145.64 119.85 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -138.64 143.63 39.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.401 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 5.9 tptm -76.9 94.03 3.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.45 -33.72 76.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.075 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.2 t -153.28 174.48 14.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -81.67 -5.72 58.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -128.36 -6.93 5.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.2 m -133.24 149.76 51.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.783 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.439 ' CD1' HD22 ' A' ' 128' ' ' LEU . 5.5 mt -135.44 147.96 28.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.123 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -114.95 100.67 8.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.1 pp -117.75 141.55 36.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 19.5 p -99.29 114.59 27.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.104 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.405 ' CB ' HG22 ' A' ' 85' ' ' THR . . . -131.16 157.44 43.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.441 ' HE1' ' CG2' ' A' ' 113' ' ' VAL . 23.8 mtt -89.38 151.92 21.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -88.55 159.01 18.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 72.4 p -78.72 -42.68 27.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -96.31 -50.2 4.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -67.23 -17.37 64.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 40.67 45.25 1.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -134.64 142.22 13.65 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.512 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.441 ' CG2' ' HE1' ' A' ' 106' ' ' MET . 58.5 t -74.2 103.59 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.93 0.395 . . . . 0.0 111.093 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.562 ' HG3' ' CE2' ' A' ' 116' ' ' PHE . 1.2 ptpm? -112.12 162.48 15.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 86.6 t -83.44 107.39 14.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.146 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.655 ' CE1' ' CG1' ' A' ' 38' ' ' VAL . 46.3 m-85 -95.72 140.57 30.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.814 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.2 tp -109.06 158.38 17.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.951 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.405 HG22 ' CD1' ' A' ' 128' ' ' LEU . 16.8 mt -137.96 105.06 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 48.3 t -99.9 109.4 21.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -140.14 173.63 11.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 6.6 t -52.53 148.3 7.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.3 p -40.73 -39.47 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 14.3 tptp -82.91 -60.05 2.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 127' ' ' GLN . 1.0 OUTLIER -41.49 -56.54 2.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.842 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 99.8 m -41.03 -34.53 0.43 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -80.51 -30.36 40.75 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.525 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 124' ' ' ASP . 15.8 mt-30 -56.61 -69.21 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.815 0.341 . . . . 0.0 110.936 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.439 HD22 ' CD1' ' A' ' 101' ' ' ILE . 0.8 OUTLIER -55.72 -34.09 64.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.435 ' N ' ' HG ' ' A' ' 128' ' ' LEU . 38.0 t80 -61.11 -62.77 1.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -45.93 -25.28 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.074 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.407 ' CB ' HD23 ' A' ' 56' ' ' LEU . . . -79.56 -63.6 1.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.108 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.477 ' O ' ' CD1' ' A' ' 136' ' ' ILE . 10.4 mp -41.67 -64.61 0.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -37.95 -62.05 0.59 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.815 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.5 ' O ' ' N ' ' A' ' 136' ' ' ILE . 47.9 t60 -49.02 -59.81 3.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 134' ' ' HIS . 12.9 mmt180 -36.85 -29.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.5 ' N ' ' O ' ' A' ' 134' ' ' HIS . 4.1 mp -91.18 -46.88 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.075 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.429 ' HA ' ' CG ' ' A' ' 140' ' ' ARG . 66.9 mt -47.2 -29.8 2.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -75.34 -35.04 61.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.8 mt -75.17 -47.04 30.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.429 ' CG ' ' HA ' ' A' ' 137' ' ' LEU . 6.2 ptm180 -64.24 -13.36 48.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.817 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 35.7 t -82.53 -24.06 34.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 25.8 mtp85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.942 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.922 0.392 . . . . 0.0 110.791 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -124.54 80.65 1.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 66.9 t -39.28 -69.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.144 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.4 pp -144.03 134.68 24.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.499 ' CG ' HD13 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -124.89 129.44 50.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.925 179.893 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.99 123.48 6.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -45.34 134.73 6.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 t -154.31 173.57 15.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.551 ' HD3' ' CZ ' ' A' ' 37' ' ' PHE . 36.6 tttt -114.4 155.25 26.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.47 ' CD2' HD21 ' A' ' 83' ' ' LEU . 13.4 tp -123.43 137.57 54.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.953 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.551 ' CZ ' ' HD3' ' A' ' 35' ' ' LYS . 59.4 m-85 -130.35 163.59 26.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.697 ' CG1' ' CE1' ' A' ' 116' ' ' PHE . 2.8 m -150.88 152.34 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -100.24 117.51 34.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.504 ' O ' ' N ' ' A' ' 42' ' ' THR . 16.6 t0 -110.25 103.86 12.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.839 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 40' ' ' ASP . 1.7 ttmm -34.38 -32.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.504 ' N ' ' O ' ' A' ' 40' ' ' ASP . 89.3 m -57.1 -49.92 74.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 40' ' ' ASP . 7.5 t -90.93 -26.13 19.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 41' ' ' LYS . 1.6 mm-40 70.3 31.71 3.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.8 m -160.21 -178.03 6.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.781 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 60.7 m95 -76.17 142.8 41.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.964 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 86.0 t -130.22 147.53 33.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.111 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -72.48 95.02 1.73 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.768 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -70.71 -59.97 2.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -170.4 120.29 0.85 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.493 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.09 145.75 29.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.859 0.361 . . . . 0.0 110.854 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.547 ' N ' ' CE ' ' A' ' 73' ' ' MET . . . 174.45 -125.92 1.15 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.525 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.499 HD13 ' CG ' ' A' ' 31' ' ' GLN . 29.0 tp -111.22 115.99 30.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.86 0.362 . . . . 0.0 110.903 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.7 tp -102.67 137.68 40.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -151.19 152.03 32.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.465 HD13 ' CD ' ' A' ' 135' ' ' ARG . 2.7 tp -102.62 109.51 21.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.7 p-10 -92.4 154.9 18.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -122.75 137.1 55.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.519 ' O ' ' N ' ' A' ' 68' ' ' GLN . 12.3 ptt? -146.64 153.21 40.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.32 150.69 36.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.085 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.509 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -86.24 154.69 21.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.863 -179.76 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.444 HG23 ' N ' ' A' ' 63' ' ' ASP . 5.9 t -99.22 -48.3 4.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.145 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.444 ' N ' HG23 ' A' ' 62' ' ' THR . 3.7 t70 -87.84 -13.99 40.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -116.56 -18.39 10.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.817 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.509 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 56.32 11.22 4.77 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.477 HG22 ' CD ' ' A' ' 142' ' ' ARG . 7.4 t -99.94 175.01 5.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.783 0.325 . . . . 0.0 111.123 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -64.49 99.99 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.519 ' N ' ' O ' ' A' ' 59' ' ' MET . 4.1 mm-40 -90.8 170.33 10.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.469 ' CB ' ' HG2' ' A' ' 135' ' ' ARG . 7.4 m -159.07 170.01 22.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -154.84 153.69 31.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.433 ' CD2' HD22 ' A' ' 132' ' ' LEU . 8.5 mt -92.33 116.71 29.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.3 t -118.93 147.15 22.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.206 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.547 ' CE ' ' N ' ' A' ' 52' ' ' GLY . 12.3 tpt -149.58 105.8 3.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 82.2 mtm180 -96.69 132.21 42.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.6 p -68.31 162.09 25.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -90.26 92.77 9.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 167.64 -95.78 0.12 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.448 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 79' ' ' LEU . 3.5 m -102.07 39.8 1.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.93 0.395 . . . . 0.0 110.876 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 78' ' ' SER . 29.9 mt 37.81 53.56 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.954 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -90.34 114.09 26.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.846 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.457 HD11 ' N ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -77.72 137.0 38.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.457 ' N ' HD11 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -130.09 -29.69 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.126 179.844 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.47 HD21 ' CD2' ' A' ' 36' ' ' LEU . 6.9 tp -119.51 120.64 37.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -152.21 105.34 3.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 11.2 t -142.33 148.86 38.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.103 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.461 ' HD3' ' NE2' ' A' ' 68' ' ' GLN . 29.4 ttmt -93.53 119.91 33.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.42 HD11 ' CB ' ' A' ' 69' ' ' SER . 20.5 mt -56.84 141.59 44.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.931 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.552 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 41.9 p90 -123.54 162.42 22.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.37 -46.13 76.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.083 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.552 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 74.9 mm-40 -83.14 32.58 0.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.493 ' HA ' ' CE2' ' A' ' 88' ' ' TRP . 1.8 tpp -68.02 143.41 55.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 18.4 mp0 -109.41 109.87 20.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.0 tt -141.73 111.34 2.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.201 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -120.61 144.4 48.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.422 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 15.3 tptm -86.92 97.06 10.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.66 -39.01 88.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.0 t -154.17 -178.66 7.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -78.84 -27.82 44.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -108.74 -6.99 15.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 54.3 p -130.76 136.72 49.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.815 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.426 HG22 ' N ' ' A' ' 102' ' ' HIS . 13.6 mt -125.92 160.25 33.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.204 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.432 ' CD2' ' CD1' ' A' ' 117' ' ' LEU . 7.8 m-70 -126.24 110.32 13.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.406 ' CD1' HD13 ' A' ' 71' ' ' LEU . 1.3 pp -128.7 143.56 40.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.182 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 29.5 p -97.39 120.26 37.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -131.74 165.6 23.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.054 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.3 mtt -96.99 161.76 13.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -94.1 155.03 17.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.984 0.421 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 43.4 p -86.46 -33.19 20.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -101.25 -47.66 4.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 111' ' ' GLN . 1.1 m-20 -80.56 -4.6 54.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.938 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 110' ' ' ASP . 13.6 mt-30 34.76 50.07 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.938 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -136.59 146.81 18.8 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.494 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 40.4 t -79.43 134.26 28.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.899 0.38 . . . . 0.0 111.206 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.444 ' HD2' ' CZ ' ' A' ' 116' ' ' PHE . 10.1 ptpt -143.95 162.67 35.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 89.0 t -84.11 108.49 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.697 ' CE1' ' CG1' ' A' ' 38' ' ' VAL . 56.6 m-85 -95.93 171.0 8.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.432 ' CD1' ' CD2' ' A' ' 102' ' ' HIS . 4.9 tp -134.02 154.73 50.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 9.8 mt -131.34 96.26 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.184 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 33.7 t -93.79 114.0 26.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -148.3 169.1 20.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 123' ' ' LYS . 3.5 t -53.34 140.47 27.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.809 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 121' ' ' SER . 4.2 p -37.79 -31.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.863 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 121' ' ' SER . 13.2 tptm -83.65 -59.4 2.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.896 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.6 -54.17 15.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.861 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 24.8 m -42.37 -57.03 2.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.186 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -46.46 -44.9 16.58 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.523 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -60.71 -60.35 3.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.88 0.371 . . . . 0.0 110.916 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.402 ' CD1' HD11 ' A' ' 132' ' ' LEU . 0.2 OUTLIER -50.64 -38.88 48.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.422 ' CZ ' ' HB2' ' A' ' 95' ' ' LYS . 32.6 t80 -65.9 -53.49 38.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.03 -49.25 69.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.149 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -49.96 -67.25 0.28 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.113 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.463 ' O ' ' C ' ' A' ' 133' ' ' HIS . 9.2 mp -46.81 -66.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . 0.463 ' C ' ' O ' ' A' ' 132' ' ' LEU . 11.6 t-160 -32.8 -58.52 0.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.515 ' C ' ' CD2' ' A' ' 134' ' ' HIS . 2.0 t60 -53.09 -61.69 2.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.51 HH21 ' CD2' ' A' ' 134' ' ' HIS . 0.0 OUTLIER -37.02 -33.26 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.461 ' N ' HD13 ' A' ' 136' ' ' ILE . 2.7 mm -76.58 -51.53 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.099 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.49 ' HA ' ' CG ' ' A' ' 140' ' ' ARG . 20.2 mt -47.46 -37.3 11.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.75 -34.18 75.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.0 mt -82.08 -64.89 1.09 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.514 ' CZ ' ' HB2' ' A' ' 140' ' ' ARG . 1.3 ptm85 -45.83 -30.59 1.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 37.4 t -63.56 -39.15 93.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . 0.477 ' CD ' HG22 ' A' ' 66' ' ' THR . 10.2 mtp-105 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.396 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -112.77 174.69 5.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.947 0.403 . . . . 0.0 110.804 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.4 t -163.32 118.24 1.67 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.828 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.84 143.37 9.2 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.488 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.5 m -130.56 153.84 48.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 110.895 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 7' ' ' GLY . 96.8 p -162.78 147.84 11.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 34.67 -119.55 0.32 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.533 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.2 p -44.41 109.3 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.752 0.311 . . . . 0.0 111.194 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.64 41.52 0.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.076 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.97 126.8 4.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -146.85 162.62 38.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 95.5 m -90.5 -58.47 2.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.945 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -165.28 161.11 18.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 tp -59.4 -55.22 37.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -72.65 70.26 0.93 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.99 149.43 35.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 18' ' ' GLU . 35.1 m -72.39 -38.17 60.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.102 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 17' ' ' VAL . 13.6 pt-20 -37.36 -40.35 0.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.4 m -86.56 -36.52 10.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.091 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 67.0 mt -58.99 139.82 18.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.079 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 23' ' ' GLU . 1.6 m -58.91 150.59 23.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.11 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 24' ' ' GLU . . . -36.35 -31.35 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.493 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 21' ' ' THR . 15.3 pt-20 35.04 33.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.803 0.335 . . . . 0.0 110.923 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.501 ' HG2' ' N ' ' A' ' 25' ' ' ALA . 1.7 pm0 -39.91 -47.63 2.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.501 ' N ' ' HG2' ' A' ' 24' ' ' GLU . . . 36.4 39.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.09 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -63.24 174.59 1.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.954 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.5 m -113.21 146.9 38.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -112.89 93.71 4.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.2 t -55.16 -74.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 pp -139.57 135.7 33.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -123.3 132.11 53.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.944 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.467 ' HE3' ' CB ' ' A' ' 120' ' ' ALA . 0.0 OUTLIER -159.2 147.99 18.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -69.45 125.64 27.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.9 t -143.81 179.52 7.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.45 ' HG2' ' CB ' ' A' ' 51' ' ' ARG . 29.8 mtmt -127.6 150.74 49.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.8 tp -116.98 142.87 46.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -144.03 141.74 30.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.568 ' CG1' ' CE1' ' A' ' 116' ' ' PHE . 0.4 OUTLIER -124.97 147.93 29.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.521 ' CZ ' ' HA ' ' A' ' 44' ' ' GLN . 46.6 t80 -92.53 106.46 18.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 42' ' ' THR . 22.9 t0 -94.41 104.1 16.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.794 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 40' ' ' ASP . 0.5 OUTLIER -37.69 -29.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.466 ' N ' ' O ' ' A' ' 40' ' ' ASP . 59.2 m -57.94 -47.95 81.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.3 m -95.39 -22.18 17.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.521 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 1.4 mm-40 67.37 32.66 5.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.2 t -158.19 -178.41 7.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 62.0 m95 -76.6 121.99 23.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.1 t -109.53 138.65 36.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.055 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -60.42 117.12 4.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.461 ' NE ' ' HA ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -104.83 -51.68 3.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -175.65 126.38 1.15 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.469 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.45 ' CB ' ' HG2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -115.21 134.04 55.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.908 0.385 . . . . 0.0 110.834 -179.857 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.464 ' N ' ' HE2' ' A' ' 73' ' ' MET . . . 178.62 -132.33 1.89 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.493 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 53.8 tp -99.36 149.27 23.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.816 0.341 . . . . 0.0 110.914 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.4 tp -138.48 131.89 30.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.96 152.52 33.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.455 HD21 ' NE ' ' A' ' 135' ' ' ARG . 2.6 tp -98.05 112.66 24.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -96.51 133.51 40.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.42 125.66 38.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.498 ' O ' ' N ' ' A' ' 68' ' ' GLN . 21.4 ptt? -124.64 159.71 30.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.812 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.3 146.07 26.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.074 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.452 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -83.99 157.01 22.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.809 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.88 -56.11 2.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -81.19 -14.24 57.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.23 -20.76 10.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.797 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.452 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 55.52 12.27 4.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.443 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.7 t -98.37 174.76 6.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.798 0.332 . . . . 0.0 111.17 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -68.39 99.38 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 59' ' ' MET . 6.0 mm-40 -88.04 165.83 14.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.7 m -142.94 162.25 35.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -152.74 170.99 18.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.5 mt -109.31 116.1 31.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.95 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.2 t -118.32 147.02 22.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.091 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.464 ' HE2' ' N ' ' A' ' 52' ' ' GLY . 8.8 tpt -147.54 107.84 4.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.825 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.43 ' NH1' ' O ' ' A' ' 79' ' ' LEU . 44.6 mtt-85 -98.68 136.47 38.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 46.1 p -70.13 168.16 16.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.184 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.467 ' CD ' ' N ' ' A' ' 77' ' ' GLY . 3.7 pp0? -81.29 -29.04 34.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.467 ' N ' ' CD ' ' A' ' 76' ' ' GLN . . . -63.43 -99.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 80' ' ' ARG . 3.6 m -97.32 39.69 1.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.898 0.38 . . . . 0.0 110.866 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.43 ' O ' ' NH1' ' A' ' 74' ' ' ARG . 9.7 mp 36.49 30.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 78' ' ' SER . 1.5 ptp180 -65.2 144.84 56.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.402 HD11 ' N ' ' A' ' 82' ' ' ILE . 0.1 OUTLIER -92.84 129.74 38.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.402 ' N ' HD11 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -125.55 -21.08 2.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.834 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.2 tp -127.47 118.12 23.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -149.34 104.91 3.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.946 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 11.1 t -143.25 147.86 35.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.471 ' HD2' ' NE2' ' A' ' 68' ' ' GLN . 12.7 ttpt -93.57 118.66 31.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.454 ' CD2' ' HE2' ' A' ' 91' ' ' MET . 4.3 mt -55.74 153.0 8.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.836 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.586 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 48.8 p90 -137.24 155.49 49.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -47.9 -46.79 32.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.586 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 55.9 mm-40 -83.42 29.67 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.49 ' HA ' ' CE2' ' A' ' 88' ' ' TRP . 3.7 tpp -70.41 140.93 52.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.817 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -100.52 118.88 37.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.463 ' CD1' ' HB2' ' A' ' 132' ' ' LEU . 1.2 tt -153.85 118.9 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -130.3 147.41 52.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.474 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 17.0 tptm -86.91 98.02 11.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.87 -39.65 76.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 69.5 m -154.62 175.14 14.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -78.9 2.37 20.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.2 mtmm -130.25 -31.46 1.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.832 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 60.0 p -113.32 150.45 32.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.916 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.404 ' CD1' ' HB2' ' A' ' 129' ' ' TYR . 8.5 mt -139.12 149.93 23.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.194 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.474 ' CD2' ' CD1' ' A' ' 117' ' ' LEU . 9.7 m170 -113.35 104.7 12.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.1 pp -123.25 141.71 42.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 61.6 p -96.21 128.84 43.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -142.78 170.84 14.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 31.6 mtm -113.67 136.27 53.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.466 ' HB2' ' CE ' ' A' ' 114' ' ' LYS . 16.9 t70 -68.51 173.0 5.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 31.1 p -89.38 -35.89 15.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.076 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -96.33 -55.44 2.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.835 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -65.44 -24.12 67.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 46.22 35.33 2.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -116.28 145.24 18.67 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.515 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 39.4 t -79.89 117.85 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.886 0.374 . . . . 0.0 111.216 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.478 ' HG3' ' CE2' ' A' ' 116' ' ' PHE . 2.2 pttt -132.12 163.0 29.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 57.5 t -82.13 108.17 14.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.079 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.568 ' CE1' ' CG1' ' A' ' 38' ' ' VAL . 60.9 m-85 -95.99 157.59 15.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.474 ' CD1' ' CD2' ' A' ' 102' ' ' HIS . 4.2 tp -123.66 155.57 37.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 16.2 mt -134.49 106.66 8.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 34.7 t -99.83 123.05 43.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.467 ' CB ' ' HE3' ' A' ' 32' ' ' MET . . . -157.52 169.92 23.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.147 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 6.1 t -54.91 153.88 5.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.859 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 51.6 p -48.74 -26.94 2.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.844 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -87.98 -61.38 1.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.947 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -48.31 -49.13 35.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 31.4 m -49.03 -46.3 43.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -65.7 -34.99 90.44 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.483 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -60.5 -66.73 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.767 0.318 . . . . 0.0 110.89 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.454 HD22 ' CE ' ' A' ' 32' ' ' MET . 3.1 pp -49.93 -43.2 49.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.474 ' CZ ' ' HB2' ' A' ' 95' ' ' LYS . 35.9 t80 -61.19 -53.71 53.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -51.57 -19.52 1.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.126 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.404 ' CB ' HH21 ' A' ' 135' ' ' ARG . . . -85.89 -60.42 2.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.068 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.547 ' CD2' ' NH1' ' A' ' 135' ' ' ARG . 46.1 mt -39.05 -65.56 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.467 ' C ' ' O ' ' A' ' 132' ' ' LEU . 2.5 t-160 -32.48 -65.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.439 ' O ' ' N ' ' A' ' 136' ' ' ILE . 75.0 t60 -47.44 -56.64 6.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.547 ' NH1' ' CD2' ' A' ' 132' ' ' LEU . 58.9 mtt180 -37.27 -31.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.469 HD12 ' N ' ' A' ' 136' ' ' ILE . 3.8 mp -92.01 -44.75 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 20.4 mt -50.8 -31.92 18.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -72.6 -29.01 63.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.055 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 3.1 mt -81.2 -46.19 15.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.884 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.458 ' HD2' ' CG2' ' A' ' 136' ' ' ILE . 4.6 mtp180 -63.2 -22.21 66.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 2.0 m -77.31 -17.07 58.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 8.3 mtt85 -90.58 -51.89 5.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.827 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.426 HG21 ' N ' ' A' ' 144' ' ' GLU . 30.2 m -52.12 -43.43 38.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . 0.426 ' N ' HG21 ' A' ' 143' ' ' VAL . 3.0 pt-20 -102.41 140.81 36.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 14.7 m -70.15 -41.84 73.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 115.33 -177.37 17.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.473 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 119.69 6.6 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.695 2.264 . . . . 0.0 112.316 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 12.0 t -86.12 117.88 25.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 23.2 p -62.68 134.05 55.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.891 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.522 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.1 m -108.15 159.19 16.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.851 0.358 . . . . 0.0 110.865 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.2 m -113.11 -60.74 1.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.92 162.69 15.28 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.526 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.2 p -168.82 158.6 9.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.84 0.352 . . . . 0.0 110.87 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.1 t -168.66 139.34 2.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.74 143.3 15.75 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.486 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.9 p -104.61 -177.99 3.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.777 0.322 . . . . 0.0 111.164 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.9 124.69 31.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.091 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -102.14 163.97 11.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.7 mtmt -116.41 179.57 3.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 23.6 t -161.55 126.09 3.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -121.15 164.24 17.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.986 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -89.12 -47.71 7.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -83.79 35.97 0.53 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -102.28 151.38 22.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.412 HG13 ' CD ' ' A' ' 24' ' ' GLU . 27.7 m -78.78 -31.21 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -42.96 -39.67 2.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.5 m -85.85 -25.02 6.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.184 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.466 HG22 ' N ' ' A' ' 21' ' ' THR . 90.7 mt -77.86 143.4 12.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.466 ' N ' HG22 ' A' ' 20' ' ' ILE . 16.5 m -47.61 -27.76 2.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.183 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.03 61.89 0.41 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.436 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -73.54 -36.77 65.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.79 0.329 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.412 ' CD ' HG13 ' A' ' 17' ' ' VAL . 1.2 pm0 -110.89 -17.68 13.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -97.66 41.29 1.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.106 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -131.86 169.59 16.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.9 m -145.85 147.4 31.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -110.29 90.7 3.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.429 HG22 ' CD2' ' A' ' 56' ' ' LEU . 6.4 t -58.68 -70.61 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.416 ' C ' HD12 ' A' ' 30' ' ' LEU . 4.5 pp -139.45 144.2 37.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -134.74 128.04 32.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -156.6 138.49 14.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -62.43 133.06 54.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 119' ' ' SER . 1.6 t -146.19 174.85 10.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 41.1 mtpt -120.99 128.45 52.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.5 tp -101.95 125.25 48.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -115.86 134.26 55.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.4 p -110.64 137.65 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.099 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -90.41 121.33 32.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 42' ' ' THR . 51.4 t0 -108.38 96.11 6.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -38.09 -27.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 40' ' ' ASP . 29.4 m -60.73 -49.01 79.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.075 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.0 m -92.83 -25.36 18.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 67.98 36.46 3.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.0 m -150.08 168.02 25.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.81 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 79.6 m95 -78.35 106.93 10.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.963 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 94.2 t -105.54 137.49 35.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.117 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.35 134.46 53.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.58 -37.52 3.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -177.76 121.55 0.78 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -116.72 141.14 48.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.909 0.385 . . . . 0.0 110.87 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.434 ' N ' ' HE2' ' A' ' 73' ' ' MET . . . 168.02 -118.53 0.79 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.546 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.3 tp -112.74 150.51 31.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.87 0.366 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.0 tp -141.69 132.18 25.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.952 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.2 152.75 33.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.429 ' CD2' HG22 ' A' ' 29' ' ' VAL . 4.7 tp -89.72 114.25 25.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -94.12 123.23 37.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.923 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -96.36 139.63 32.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.495 ' O ' ' N ' ' A' ' 68' ' ' GLN . 16.5 ptt? -147.73 160.72 42.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -91.69 145.11 24.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.462 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.7 OUTLIER -82.73 154.32 24.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.899 -179.817 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.41 -54.64 2.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.193 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -83.62 -7.26 59.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -121.53 -21.12 6.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.462 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 56.79 10.55 4.75 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.491 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.2 t -95.8 172.67 7.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.801 0.334 . . . . 0.0 111.159 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -68.87 99.72 1.09 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 59' ' ' MET . 7.3 mm-40 -84.63 169.21 14.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.9 m -157.84 163.73 37.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -149.8 171.47 16.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.8 mt -113.47 111.09 21.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.981 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.474 HG13 ' N ' ' A' ' 73' ' ' MET . 2.3 t -113.4 147.11 17.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.474 ' N ' HG13 ' A' ' 72' ' ' VAL . 13.7 tpt -148.36 105.83 3.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.9 mtt-85 -92.98 144.19 25.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.3 p -88.66 144.94 25.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -59.99 133.55 56.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 112.76 -97.01 0.86 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.485 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.2 m -88.73 17.57 5.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.35 . . . . 0.0 110.76 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.4 mp 41.07 33.94 0.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.939 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 18.6 ttt180 -61.56 138.85 58.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.42 HD11 ' ND2' ' A' ' 84' ' ' ASN . 0.2 OUTLIER -91.8 134.65 34.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.901 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.469 HG12 ' N ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -129.01 -28.03 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.469 ' N ' HG12 ' A' ' 82' ' ' ILE . 4.9 tp -121.76 128.49 51.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.955 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.483 ' OD1' ' CG2' ' A' ' 108' ' ' THR . 1.2 p30 -161.97 105.69 1.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.9 t -145.28 139.55 27.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.167 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.469 ' HD2' ' NE2' ' A' ' 68' ' ' GLN . 4.8 ttpm? -80.17 123.14 27.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.986 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.462 ' CD2' ' HE3' ' A' ' 91' ' ' MET . 21.3 mt -56.99 141.13 46.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.579 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 46.5 p90 -122.59 158.96 28.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.414 ' CB ' ' HA ' ' A' ' 140' ' ' ARG . . . -52.75 -44.55 66.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.095 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.579 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 47.7 mm-40 -84.05 32.3 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.462 ' HE3' ' CD2' ' A' ' 87' ' ' LEU . 1.3 tpp -72.37 132.01 43.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -98.4 117.11 32.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.3 tt -151.79 124.71 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -142.2 145.62 34.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.488 ' HD3' ' CD2' ' A' ' 129' ' ' TYR . 11.7 tptm -75.83 93.84 3.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.508 ' CB ' ' CD2' ' A' ' 102' ' ' HIS . . . -65.37 -29.55 70.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.099 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.9 t -162.54 174.21 12.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.445 ' CG ' ' HB2' ' A' ' 122' ' ' SER . 5.2 tt0 -73.27 -23.0 60.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -122.3 15.4 10.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.965 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.4 m -151.01 140.74 21.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 5.8 mt -131.19 151.87 36.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.167 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.583 ' CD2' ' CD1' ' A' ' 117' ' ' LEU . 10.7 m170 -118.0 103.58 10.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.819 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.6 pp -122.7 144.84 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 31.4 p -97.44 126.23 42.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.098 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -140.58 159.0 43.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 27.8 mtt -85.91 157.83 20.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -100.71 153.37 19.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.483 ' CG2' ' OD1' ' A' ' 84' ' ' ASN . 40.9 p -76.97 -34.95 57.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.219 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -99.33 -56.31 2.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -64.34 -13.02 47.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 39.41 35.99 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.951 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -130.52 153.94 20.43 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.446 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 61.6 t -86.57 119.84 35.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.938 0.399 . . . . 0.0 111.097 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 9.9 ptpt -127.79 175.18 8.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 72.7 t -96.04 108.98 21.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.166 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -96.88 174.37 6.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.583 ' CD1' ' CD2' ' A' ' 102' ' ' HIS . 3.7 tp -134.12 157.16 46.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 5.9 mt -134.25 99.14 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.094 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.404 ' O ' ' SG ' ' A' ' 34' ' ' CYS . 26.6 t -93.87 121.47 35.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -156.82 174.35 15.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 123' ' ' LYS . 6.5 t -60.16 141.41 55.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.817 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.445 ' HB2' ' CG ' ' A' ' 98' ' ' GLU . 53.2 p -41.13 -26.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.822 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 121' ' ' SER . 0.8 OUTLIER -83.47 -61.0 1.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -53.83 -51.36 63.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.878 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 99.8 m -43.19 -40.9 3.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.169 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -75.91 -30.8 57.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.476 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -60.98 -69.25 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.883 0.373 . . . . 0.0 110.951 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.472 ' HG ' ' N ' ' A' ' 129' ' ' TYR . 1.3 pt? -54.27 -38.63 66.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.939 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.488 ' CD2' ' HD3' ' A' ' 95' ' ' LYS . 22.9 t80 -55.57 -59.83 4.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -50.55 -35.08 28.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.134 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 132' ' ' LEU . . . -64.88 -70.19 0.24 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.469 ' O ' ' C ' ' A' ' 133' ' ' HIS . 6.9 mp -37.91 -70.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.945 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.469 ' C ' ' O ' ' A' ' 132' ' ' LEU . 11.1 t-80 -32.75 -68.52 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.478 ' HA ' ' CD1' ' A' ' 137' ' ' LEU . 5.1 t60 -43.33 -59.76 1.97 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.406 ' N ' ' CD2' ' A' ' 134' ' ' HIS . 11.6 mmt180 -40.07 -37.88 0.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.503 ' O ' ' N ' ' A' ' 139' ' ' LEU . 3.1 mm -72.32 -51.35 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.083 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.509 ' HA ' ' CG ' ' A' ' 140' ' ' ARG . 40.7 mt -37.7 -31.39 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 136' ' ' ILE . . . -70.16 -43.26 71.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.104 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 136' ' ' ILE . 2.3 mt -74.66 -53.98 8.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.509 ' CG ' ' HA ' ' A' ' 137' ' ' LEU . 7.1 ptp180 -58.57 -11.2 2.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 31.3 t -88.75 -18.7 27.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 38.0 mtp85 -82.33 -55.35 4.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.434 HG21 ' N ' ' A' ' 144' ' ' GLU . 26.1 m -55.8 -46.69 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . 0.434 ' N ' HG21 ' A' ' 143' ' ' VAL . 5.2 mm-40 -133.77 107.92 8.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.0 t -101.41 99.76 10.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -71.5 -171.69 13.86 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.475 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 114.82 3.82 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.707 2.271 . . . . 0.0 112.347 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 3.2 t 58.12 49.95 10.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.805 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 30.1 m 52.26 49.78 19.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.813 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.435 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t 45.09 41.34 5.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.865 0.364 . . . . 0.0 110.847 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -127.42 127.55 44.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.822 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.01 -165.8 11.96 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.6 p -145.18 121.12 10.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.892 0.377 . . . . 0.0 110.945 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 t -93.52 108.04 19.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.28 60.4 0.48 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.396 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -155.02 135.15 13.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.735 0.302 . . . . 0.0 111.151 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -172.24 145.34 1.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.4 -176.58 3.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 pptp? -95.49 -25.15 16.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.966 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 58.2 m -47.79 168.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 59.59 44.36 14.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 tt -108.84 -58.52 2.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.949 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -92.7 15.34 14.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.4 ' HG2' ' CD ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -57.41 148.01 24.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.458 ' HA ' ' CD1' ' A' ' 20' ' ' ILE . 22.6 m -79.32 -31.99 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.4 ' CD ' ' HG2' ' A' ' 16' ' ' LYS . 18.8 pt-20 -42.92 -39.27 2.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.445 HG23 ' N ' ' A' ' 20' ' ' ILE . 30.7 m -81.54 -37.24 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.086 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.458 ' CD1' ' HA ' ' A' ' 17' ' ' VAL . 85.1 mt -54.0 153.04 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 m -53.91 164.01 0.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.178 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.18 75.0 0.98 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.554 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -95.36 -50.12 5.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.836 0.351 . . . . 0.0 110.9 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -115.3 -20.32 10.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -94.96 43.94 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.093 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -124.8 156.66 37.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m -145.77 142.64 29.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.832 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -108.02 118.54 37.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.417 ' CG2' ' N ' ' A' ' 30' ' ' LEU . 1.8 m -94.74 -39.15 9.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.142 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.417 ' N ' ' CG2' ' A' ' 29' ' ' VAL . 2.8 pp -156.73 137.79 13.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.97 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.468 ' CG ' HD11 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -131.73 147.44 52.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.435 ' N ' ' HG2' ' A' ' 31' ' ' GLN . 3.4 ptt? -169.19 129.35 1.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -61.39 117.05 5.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.982 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.413 ' SG ' ' CG2' ' A' ' 118' ' ' ILE . 2.6 t -136.14 174.03 11.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.454 ' HG3' ' CB ' ' A' ' 51' ' ' ARG . 26.9 tttt -113.44 149.34 34.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 tp -119.39 137.28 53.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.437 ' CE1' ' HE2' ' A' ' 35' ' ' LYS . 83.5 m-85 -132.1 162.25 31.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.784 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.607 ' CG1' ' CE1' ' A' ' 116' ' ' PHE . 2.5 m -146.35 138.0 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.135 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.562 ' CZ ' ' C ' ' A' ' 44' ' ' GLN . 20.2 t80 -82.99 110.7 18.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 42' ' ' THR . 36.4 t0 -100.11 104.63 16.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.488 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -33.87 -35.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.949 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 40' ' ' ASP . 19.5 m -54.81 -50.77 67.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 40' ' ' ASP . 17.4 m -89.51 -24.76 21.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.562 ' C ' ' CZ ' ' A' ' 39' ' ' PHE . 1.3 mm-40 69.37 25.7 5.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.9 t -155.36 -177.14 6.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 76.7 m95 -73.0 137.54 45.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.972 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.404 HG12 ' N ' ' A' ' 48' ' ' GLU . 98.9 t -130.0 144.58 37.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.074 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.404 ' N ' HG12 ' A' ' 47' ' ' VAL . 64.7 tt0 -68.68 113.88 6.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.801 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.69 -56.77 2.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -164.86 121.26 0.99 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.477 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.454 ' CB ' ' HG3' ' A' ' 35' ' ' LYS . 23.2 ptt180 -113.32 151.96 30.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.931 0.396 . . . . 0.0 110.835 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.412 ' C ' ' HE1' ' A' ' 73' ' ' MET . . . 161.07 -130.26 2.31 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.491 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.468 HD11 ' CG ' ' A' ' 31' ' ' GLN . 50.1 tp -97.88 132.17 43.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.824 0.345 . . . . 0.0 110.874 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.468 HD22 ' CG ' ' A' ' 128' ' ' LEU . 4.6 tp -122.19 130.52 53.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -151.15 151.7 32.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.821 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.455 HD12 ' CZ ' ' A' ' 135' ' ' ARG . 4.4 tp -90.07 139.44 30.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.44 ' C ' ' OD1' ' A' ' 57' ' ' ASN . 22.5 t-20 -116.42 121.06 40.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -95.19 131.25 41.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.5 ' O ' ' N ' ' A' ' 68' ' ' GLN . 20.4 ptt? -137.15 160.67 38.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.797 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -89.76 145.06 25.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.062 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.461 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -83.01 153.38 24.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.8 -179.776 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.27 -58.89 1.86 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.177 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -79.62 -7.47 58.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -119.75 -24.77 6.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.461 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 60.56 7.42 7.71 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.534 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.8 t -91.96 174.69 7.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 0.0 111.169 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -71.67 99.84 2.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 59' ' ' MET . 7.9 mm-40 -85.59 169.72 13.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.4 m -154.9 168.3 27.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -155.85 165.94 34.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.0 mt -107.04 118.32 36.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.472 HG11 ' N ' ' A' ' 73' ' ' MET . 2.2 t -117.61 147.24 21.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.472 ' N ' HG11 ' A' ' 72' ' ' VAL . 6.8 tpt -144.1 115.74 8.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 53' ' ' LEU . 97.6 mtt180 -103.05 134.08 47.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.2 p -76.48 158.47 31.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -82.78 -37.2 24.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -54.38 -31.93 51.51 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.455 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.7 m -172.26 164.74 5.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.923 0.392 . . . . 0.0 110.878 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -74.07 62.31 0.89 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 17.3 ttt180 -114.55 137.94 51.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -93.58 137.38 32.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.468 ' N ' HD12 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -127.61 -27.07 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.829 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.459 ' N ' HG12 ' A' ' 82' ' ' ILE . 3.1 tp -126.05 114.79 18.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -147.55 105.06 3.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.3 t -146.38 144.93 30.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.111 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.455 ' HG3' ' CE ' ' A' ' 59' ' ' MET . 10.5 ttpt -88.22 121.36 30.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.504 ' CD2' ' CE ' ' A' ' 91' ' ' MET . 6.8 mt -56.92 159.55 4.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.935 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.565 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 42.5 p90 -141.51 158.86 43.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.969 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.98 -45.23 64.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.565 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 50.7 mm-40 -84.37 31.95 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.504 ' CE ' ' CD2' ' A' ' 87' ' ' LEU . 6.2 tpp -70.85 139.63 50.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -97.58 111.66 23.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.5 tt -148.02 127.49 4.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.183 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -141.07 145.61 36.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.9 tptm -82.4 98.22 8.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.0 -28.39 63.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.4 t -169.78 170.23 7.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.876 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -75.28 -2.91 30.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -132.94 16.58 4.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 83.7 p -160.36 140.58 11.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 102' ' ' HIS . 9.1 mt -130.48 144.66 37.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.169 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.531 ' CD2' ' CD1' ' A' ' 117' ' ' LEU . 13.0 m170 -109.57 103.54 12.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.1 pp -120.42 151.02 23.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 38.0 p -106.12 124.96 50.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.139 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -140.52 167.67 21.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.202 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 14.3 mtt -100.36 159.16 15.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.852 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -96.82 164.06 12.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 66.3 p -86.85 -36.76 18.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.229 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -100.6 -38.55 8.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.8 -26.57 44.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 49.33 44.62 23.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -136.55 141.94 13.04 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 31.2 t -77.49 108.7 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.854 0.359 . . . . 0.0 111.171 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.471 ' HG3' ' CE2' ' A' ' 116' ' ' PHE . 3.3 ptpt -119.23 162.81 18.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 48.6 t -81.76 106.96 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.607 ' CE1' ' CG1' ' A' ' 38' ' ' VAL . 64.0 m-85 -96.21 149.24 21.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.531 ' CD1' ' CD2' ' A' ' 102' ' ' HIS . 5.0 tp -116.37 155.02 29.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.413 ' CG2' ' SG ' ' A' ' 34' ' ' CYS . 36.9 mt -128.73 98.78 4.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 31.5 t -88.67 108.8 19.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.862 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -144.5 169.06 18.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 19.0 t -63.47 161.07 15.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.4 p -49.59 -42.51 44.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -71.86 -61.59 1.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 127' ' ' GLN . 3.9 m-20 -50.18 -60.27 3.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.88 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 124' ' ' ASP . 87.4 m -35.66 -42.07 0.23 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.169 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -63.26 -41.47 99.56 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.417 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' A' ' 124' ' ' ASP . 1.7 mm-40 -50.64 -61.73 2.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.816 0.341 . . . . 0.0 110.884 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.468 ' CG ' HD22 ' A' ' 54' ' ' LEU . 0.4 OUTLIER -50.58 -70.32 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -37.44 -63.13 0.47 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.99 -44.24 4.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.148 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.401 ' CB ' HH21 ' A' ' 135' ' ' ARG . . . -68.31 -62.5 1.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.114 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.488 ' O ' ' CD1' ' A' ' 136' ' ' ILE . 4.0 mp -38.19 -67.26 0.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.452 ' C ' ' O ' ' A' ' 132' ' ' LEU . 4.1 t-160 -34.01 -62.53 0.31 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.446 ' HA ' ' CD1' ' A' ' 137' ' ' LEU . 26.5 t60 -48.65 -54.6 14.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.463 ' HD2' ' CD1' ' A' ' 87' ' ' LEU . 53.0 mtt180 -41.04 -27.59 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.488 ' CD1' ' O ' ' A' ' 132' ' ' LEU . 3.5 mp -94.07 -45.36 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.472 ' HA ' ' CG ' ' A' ' 140' ' ' ARG . 13.6 mt -50.01 -35.68 25.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.412 ' O ' ' CG ' ' A' ' 142' ' ' ARG . . . -66.43 -26.29 67.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.01 -56.77 3.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.472 ' CG ' ' HA ' ' A' ' 137' ' ' LEU . 4.3 ptp180 -57.57 -23.24 49.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 41.9 t -74.18 -28.73 61.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.833 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . 0.432 ' NH1' ' HB3' ' A' ' 142' ' ' ARG . 1.8 mtp-105 -76.8 -48.08 19.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 142' ' ' ARG . 40.1 t -36.59 -58.41 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -109.54 133.81 52.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 8.0 t -114.87 105.58 13.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -170.37 152.67 19.53 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 -12.57 33.24 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.697 2.265 . . . . 0.0 112.393 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 39.5 p -51.44 166.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 42.4 m -98.88 -178.71 4.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.517 179.961 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -124.69 173.68 8.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.851 0.358 . . . . 0.0 110.852 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t 70.41 42.41 0.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.29 -157.09 33.33 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.473 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.6 p -170.99 173.65 5.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.843 0.354 . . . . 0.0 110.835 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 t -80.18 167.44 20.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.03 172.28 20.21 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.461 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.4 p -132.72 132.5 42.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.799 0.333 . . . . 0.0 111.15 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.48 168.24 1.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.107 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -121.89 42.22 3.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -123.68 145.32 49.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 84.9 m -39.15 98.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.8 mt -130.37 171.21 13.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 tp -51.09 -46.49 61.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -69.14 73.12 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.453 ' HG3' ' N ' ' A' ' 17' ' ' VAL . 1.0 OUTLIER -104.65 161.67 13.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.498 ' O ' ' N ' ' A' ' 20' ' ' ILE . 2.0 t -92.78 -44.36 13.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.167 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 17' ' ' VAL . 15.5 pt-20 -36.33 -36.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.463 HG21 ' N ' ' A' ' 20' ' ' ILE . 16.0 m -83.09 -38.66 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.498 ' N ' ' O ' ' A' ' 17' ' ' VAL . 79.3 mt -56.91 157.46 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.467 ' N ' ' CG2' ' A' ' 20' ' ' ILE . 0.7 OUTLIER -45.85 153.51 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -74.44 74.5 1.27 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.469 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -59.43 -40.84 88.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.835 0.35 . . . . 0.0 110.912 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -51.61 -16.69 0.67 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.938 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.14 42.36 0.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -65.76 171.34 4.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.5 t -95.15 150.92 19.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -119.8 107.57 13.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.484 HG12 ' N ' ' A' ' 30' ' ' LEU . 7.4 p -92.37 -32.74 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.484 ' N ' HG12 ' A' ' 29' ' ' VAL . 1.2 pp -165.36 134.15 3.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.83 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.48 ' CG ' HD11 ' A' ' 53' ' ' LEU . 16.2 tt0 -132.71 136.62 46.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.466 ' CE ' HD23 ' A' ' 128' ' ' LEU . 4.0 ptt? -161.32 138.64 8.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -70.75 116.83 11.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.45 ' SG ' ' CG2' ' A' ' 118' ' ' ILE . 1.8 t -130.65 179.43 5.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.442 ' CD ' ' CZ ' ' A' ' 37' ' ' PHE . 17.7 ttmt -113.59 144.64 42.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.8 tp -123.26 123.83 41.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.442 ' CZ ' ' CD ' ' A' ' 35' ' ' LYS . 69.1 m-85 -115.87 156.17 26.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.449 ' CG2' ' HD3' ' A' ' 114' ' ' LYS . 3.0 p -139.87 135.47 38.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.44 ' CZ ' ' HA ' ' A' ' 44' ' ' GLN . 28.7 t80 -65.07 136.48 56.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.417 ' C ' ' N ' ' A' ' 42' ' ' THR . 9.9 t0 -125.3 102.0 7.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.912 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.3 -22.83 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.417 ' N ' ' C ' ' A' ' 40' ' ' ASP . 26.0 m -56.39 -50.01 72.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 44' ' ' GLN . 14.3 m -118.97 20.51 12.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.44 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 1.4 mm-40 36.86 43.03 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.965 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.6 t -150.37 174.41 12.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 54.3 m95 -75.72 138.9 41.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 66.5 t -130.51 143.2 41.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -55.5 116.66 3.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.86 -51.75 3.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -170.34 103.16 0.19 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.526 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -103.36 137.94 40.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.844 0.355 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.558 ' N ' ' CE ' ' A' ' 73' ' ' MET . . . 167.28 -136.62 4.21 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.464 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.48 HD11 ' CG ' ' A' ' 31' ' ' GLN . 18.3 tp -83.34 135.06 34.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.895 0.379 . . . . 0.0 110.951 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.7 tp -132.36 134.08 44.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.4 ptt180 -151.21 155.07 38.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.468 HD21 ' CZ ' ' A' ' 135' ' ' ARG . 2.8 tp -97.13 109.57 22.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.958 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -92.26 132.95 36.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -102.35 126.83 49.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.514 ' O ' ' N ' ' A' ' 68' ' ' GLN . 19.9 ptt? -127.31 157.83 38.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.05 150.38 20.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.076 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.483 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 1.1 t -86.28 155.11 20.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.487 ' OG1' ' N ' ' A' ' 63' ' ' ASP . 0.8 OUTLIER -98.76 -60.62 1.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.172 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.487 ' N ' ' OG1' ' A' ' 62' ' ' THR . 0.6 OUTLIER -76.71 -20.53 56.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 179.855 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -105.9 -23.99 12.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.483 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 60.06 7.0 6.08 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.6 t -88.57 175.35 7.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.785 0.326 . . . . 0.0 111.2 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -73.35 99.76 3.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.514 ' N ' ' O ' ' A' ' 59' ' ' MET . 3.7 mm100 -81.9 165.99 20.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.953 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.449 ' CB ' HD12 ' A' ' 87' ' ' LEU . 38.2 m -155.24 156.11 35.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -147.22 166.66 26.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.0 mt -108.38 113.91 27.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.2 t -111.69 145.45 17.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.558 ' CE ' ' N ' ' A' ' 52' ' ' GLY . 12.2 tpt -143.56 106.48 4.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.446 ' HD3' ' CD2' ' A' ' 79' ' ' LEU . 72.0 mtt-85 -92.07 127.82 37.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.848 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.2 p -70.53 158.84 35.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.425 ' CD ' ' O ' ' A' ' 76' ' ' GLN . 0.0 OUTLIER -81.84 40.08 0.59 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.932 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -122.59 -95.29 1.25 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.5 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 57.8 m -128.94 64.7 1.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 0.0 110.871 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.446 ' CD2' ' HD3' ' A' ' 74' ' ' ARG . 15.1 mt 40.77 51.43 3.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -96.13 102.01 13.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.819 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 82' ' ' ILE . 0.1 OUTLIER -67.91 132.23 46.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.937 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.468 ' N ' HD12 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -126.68 -21.83 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.053 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.3 tp -130.37 120.8 24.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.944 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -153.27 104.98 2.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.474 HG21 ' CB ' ' A' ' 105' ' ' ALA . 5.0 t -142.98 154.11 43.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.103 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.405 ' HD2' ' C ' ' A' ' 86' ' ' LYS . 1.0 OUTLIER -92.76 128.82 38.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 179.867 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.449 HD12 ' CB ' ' A' ' 69' ' ' SER . 12.6 mt -67.84 138.52 56.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.596 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 49.4 p90 -118.95 156.81 28.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.43 -43.83 62.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.117 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.596 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 21.4 mm-40 -83.72 31.51 0.48 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.46 ' HA ' ' NE1' ' A' ' 88' ' ' TRP . 1.7 ttm -70.01 139.29 52.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.828 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -103.66 113.96 27.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.0 tt -150.26 115.68 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.113 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -128.27 140.58 51.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 10.6 tptm -75.1 93.73 2.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.77 -40.17 88.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.152 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.7 m -147.97 167.38 25.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -71.04 -10.25 59.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -124.76 -21.09 4.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.4 m -113.39 152.3 30.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.452 ' CD1' HD12 ' A' ' 128' ' ' LEU . 3.3 mt -140.14 151.49 21.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.141 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.551 ' CD2' HD11 ' A' ' 117' ' ' LEU . 11.6 m-70 -120.38 103.18 8.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.2 pp -117.85 150.44 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.145 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 13.7 p -101.59 124.57 47.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.474 ' CB ' HG21 ' A' ' 85' ' ' THR . . . -140.8 171.92 13.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.079 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 19.6 mtt -99.26 168.98 9.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -105.18 168.88 8.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 23.3 p -94.5 -39.75 10.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.157 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -101.31 -44.73 5.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -73.93 -10.9 60.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 38.92 43.79 0.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -128.65 154.98 20.34 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 45.7 t -88.88 102.06 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.862 0.363 . . . . 0.0 111.135 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.52 ' HG3' ' CZ ' ' A' ' 116' ' ' PHE . 5.1 ptpt -118.27 149.45 41.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 4.6 p -90.4 117.1 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.108 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.52 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 82.8 m-85 -95.92 176.91 5.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.839 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.551 HD11 ' CD2' ' A' ' 102' ' ' HIS . 3.7 tp -123.88 154.61 39.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.868 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.45 ' CG2' ' SG ' ' A' ' 34' ' ' CYS . 5.4 mt -135.0 102.39 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 46.0 t -98.11 125.3 43.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -155.29 172.78 17.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 123' ' ' LYS . 3.2 t -54.43 138.77 39.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.813 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 121' ' ' SER . 7.0 p -36.3 -33.61 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.837 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 121' ' ' SER . 48.5 tptt -84.49 -59.59 2.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -45.6 -55.19 6.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.878 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.4 m -42.33 -29.1 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -76.64 -38.8 31.24 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.448 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -51.72 -69.42 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.843 0.354 . . . . 0.0 110.924 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.584 ' CD1' ' N ' ' A' ' 129' ' ' TYR . 3.1 pp -55.34 -43.77 75.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.584 ' N ' ' CD1' ' A' ' 128' ' ' LEU . 22.5 t80 -50.56 -55.27 16.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.02 -21.04 58.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -78.48 -55.29 5.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 133' ' ' HIS . 10.4 mp -53.76 -70.9 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.957 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 132' ' ' LEU . 8.5 t-160 -34.9 -62.05 0.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -43.04 -61.42 1.31 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.468 ' CZ ' HD21 ' A' ' 56' ' ' LEU . 1.4 mpt_? -39.92 -40.89 1.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.433 HD12 ' N ' ' A' ' 136' ' ' ILE . 3.0 mm -68.45 -53.35 28.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.077 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.487 ' HA ' ' CG ' ' A' ' 140' ' ' ARG . 30.5 mt -44.88 -40.85 6.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.08 -36.67 80.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.8 mt -77.56 -59.72 2.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.487 ' CG ' ' HA ' ' A' ' 137' ' ' LEU . 5.5 ptm180 -54.33 -15.52 1.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 43.6 t -77.21 -27.14 53.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . 0.428 ' NH1' ' HB3' ' A' ' 142' ' ' ARG . 6.5 mtp-105 -79.4 -48.23 14.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.929 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 17.9 m -56.35 -46.55 81.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -134.87 114.99 13.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 57.9 m -80.93 101.65 9.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.888 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -129.4 145.86 16.71 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.476 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 138.78 38.72 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.68 2.253 . . . . 0.0 112.396 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 3.4 t -147.34 115.72 6.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.851 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 2.2 m -73.22 144.97 46.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.453 -179.958 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t -132.55 142.84 49.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.339 . . . . 0.0 110.883 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -133.24 -49.01 0.85 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.59 -164.04 53.06 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.469 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -159.86 159.46 32.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.905 0.384 . . . . 0.0 110.829 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.8 m -139.66 172.54 12.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.92 173.49 26.23 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.449 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.6 p -154.97 170.22 22.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 111.117 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -147.69 157.94 43.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -112.76 160.39 18.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.2 mtmm -107.05 153.05 23.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.0 t -120.29 133.34 55.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.8 mt -117.82 169.81 9.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -86.33 -53.58 4.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.962 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -91.82 37.19 0.96 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -58.15 166.7 1.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.416 HG13 ' CD ' ' A' ' 24' ' ' GLU . 18.7 m -81.12 -33.35 12.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -41.13 -39.32 1.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.1 m -86.11 -32.25 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.473 HG22 ' N ' ' A' ' 21' ' ' THR . 39.5 mt -74.69 139.0 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.079 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.473 ' N ' HG22 ' A' ' 20' ' ' ILE . 28.3 m -43.38 -23.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.155 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.73 44.62 1.2 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.43 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -71.32 -41.06 70.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.835 0.35 . . . . 0.0 110.917 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.416 ' CD ' HG13 ' A' ' 17' ' ' VAL . 1.1 pm0 -89.27 -14.9 34.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -100.19 31.68 3.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.069 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -155.51 128.77 8.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.3 t -123.62 151.5 42.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -102.18 86.92 2.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.428 ' CG1' HD23 ' A' ' 56' ' ' LEU . 64.7 t -48.68 -69.58 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.403 HD12 ' C ' ' A' ' 30' ' ' LEU . 4.5 pp -143.76 140.01 29.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.981 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.409 ' CD ' HD21 ' A' ' 53' ' ' LEU . 11.9 tt0 -125.58 129.18 49.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -154.12 136.12 14.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -60.22 127.19 30.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.1 t -146.73 170.83 16.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt -120.1 130.28 54.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.4 tp -96.28 128.63 43.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -119.49 144.67 46.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.9 p -124.85 127.47 72.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.074 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.53 ' CE1' ' HA ' ' A' ' 41' ' ' LYS . 6.2 t80 -70.21 130.06 41.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.503 ' O ' ' N ' ' A' ' 42' ' ' THR . 31.3 t0 -114.93 90.9 3.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.828 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.53 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -33.21 -34.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.986 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.503 ' N ' ' O ' ' A' ' 40' ' ' ASP . 51.3 m -43.8 -49.38 8.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.184 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 44' ' ' GLN . 13.2 m -116.18 19.13 15.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.812 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.488 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 1.8 mm-40 38.03 48.38 1.06 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.4 m -154.89 171.79 19.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.521 ' CZ3' ' HB2' ' A' ' 39' ' ' PHE . 55.6 m95 -78.12 140.44 39.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 83.3 t -128.69 143.21 41.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -60.88 121.27 11.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.79 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.444 ' NH2' ' OD1' ' A' ' 107' ' ' ASP . 0.0 OUTLIER -109.32 -39.95 5.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.847 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 171.96 112.63 0.28 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.515 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.2 ptt-85 -108.66 148.82 29.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.845 0.355 . . . . 0.0 110.898 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.443 ' N ' ' CE ' ' A' ' 73' ' ' MET . . . 177.19 -111.09 0.32 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.502 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.409 HD21 ' CD ' ' A' ' 31' ' ' GLN . 28.1 tp -127.76 111.12 13.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.834 0.349 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.464 ' CD2' HD23 ' A' ' 128' ' ' LEU . 5.5 tp -92.65 143.93 25.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.482 ' HG2' ' CG2' ' A' ' 72' ' ' VAL . 10.4 ptt-85 -149.16 156.89 42.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.428 HD23 ' CG1' ' A' ' 29' ' ' VAL . 2.8 tp -112.99 106.77 15.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 34.5 p-10 -95.17 155.72 16.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.444 ' OD2' ' NH2' ' A' ' 135' ' ' ARG . 33.0 m-20 -122.22 138.51 54.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.5 ' O ' ' N ' ' A' ' 68' ' ' GLN . 20.6 ptt? -140.26 155.52 46.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.32 153.34 29.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.463 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -87.78 150.12 23.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.806 -179.79 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.8 t -98.75 -45.39 6.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.069 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -89.53 -8.56 52.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.454 ' OD1' ' NH1' ' A' ' 142' ' ' ARG . 4.2 t0 -122.73 -19.85 6.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.463 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 59.97 7.59 6.91 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.478 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.8 t -96.91 175.04 6.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.819 0.343 . . . . 0.0 111.144 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.426 ' CD1' ' C ' ' A' ' 67' ' ' LEU . 2.7 tm? -66.98 105.08 1.53 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 59' ' ' MET . 5.0 mm-40 -92.7 161.24 14.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.469 ' CB ' HD11 ' A' ' 87' ' ' LEU . 14.7 m -128.09 161.6 28.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.4 ttm180 -152.06 144.54 24.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.459 ' CD1' HD21 ' A' ' 87' ' ' LEU . 8.8 mt -94.61 153.31 17.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.482 ' CG2' ' HG2' ' A' ' 55' ' ' ARG . 0.9 OUTLIER -154.68 152.11 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.103 179.817 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.443 ' CE ' ' N ' ' A' ' 52' ' ' GLY . 8.9 tpt -155.35 106.36 2.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.867 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.426 ' HG3' ' NH1' ' A' ' 55' ' ' ARG . 44.8 mtm180 -97.17 140.72 31.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.9 p -79.0 156.19 28.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -78.06 157.86 29.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.74 -60.75 4.35 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.416 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 80' ' ' ARG . 34.4 t -117.48 119.54 35.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.924 0.392 . . . . 0.0 110.884 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.73 75.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 78' ' ' SER . 15.0 ttt180 -117.34 139.61 50.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.459 HD13 ' N ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -98.88 134.83 41.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.459 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -126.38 -26.23 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.089 179.854 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.454 ' N ' HG12 ' A' ' 82' ' ' ILE . 6.3 tp -124.75 121.91 35.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -152.95 105.04 2.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.6 t -144.26 147.58 33.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.083 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.465 ' HG3' ' CE ' ' A' ' 59' ' ' MET . 2.8 ttpm? -88.67 117.16 27.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.469 HD11 ' CB ' ' A' ' 69' ' ' SER . 6.5 mt -56.65 144.73 31.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.568 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 40.7 p90 -126.85 163.1 24.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.34 -43.21 92.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.063 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.568 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 32.4 mm-40 -82.87 32.78 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.958 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.477 ' HA ' ' NE1' ' A' ' 88' ' ' TRP . 8.0 tpp -76.36 145.64 39.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -104.29 103.83 13.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 3.1 tt -142.71 115.21 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -125.82 144.12 50.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.564 ' HD3' ' CD2' ' A' ' 129' ' ' TYR . 9.3 tptm -79.7 92.72 5.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.18 -45.88 91.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.089 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.2 t -151.29 -178.65 6.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -84.89 -2.92 58.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.4 mtmt -129.6 -1.0 4.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 79.4 p -140.15 152.16 45.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.869 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 5.7 mt -138.28 152.73 25.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.128 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.452 ' CD2' HD11 ' A' ' 117' ' ' LEU . 4.8 m-70 -120.19 102.96 8.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.06 146.03 27.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 41.6 p -104.1 125.48 50.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.09 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -139.2 159.6 41.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.068 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 6.1 mtt -83.67 169.81 14.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.444 ' OD1' ' NH2' ' A' ' 49' ' ' ARG . 6.4 t70 -106.49 167.0 10.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 67.5 p -89.71 -38.65 13.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.165 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -98.24 -58.49 1.96 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -67.26 -12.11 59.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 38.87 49.0 1.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -131.96 148.76 19.19 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.478 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 82.6 t -83.79 110.68 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 111.126 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -119.46 159.51 24.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 97.6 t -81.34 108.76 14.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.174 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -95.85 169.81 9.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.452 HD11 ' CD2' ' A' ' 102' ' ' HIS . 5.7 tp -133.77 154.19 51.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.421 ' N ' ' HG ' ' A' ' 117' ' ' LEU . 67.2 mt -127.52 110.11 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 23.2 t -103.81 115.32 30.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -150.63 171.16 17.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.159 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 123' ' ' LYS . 6.0 t -61.9 140.2 58.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.841 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 121' ' ' SER . 5.2 p -35.8 -31.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 121' ' ' SER . 21.8 tptm -76.0 -60.89 2.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -53.37 -52.14 60.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 90.9 m -41.21 -50.6 3.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -57.56 -44.81 93.7 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.457 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -59.54 -61.61 2.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.853 0.359 . . . . 0.0 110.937 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.464 HD23 ' CD2' ' A' ' 54' ' ' LEU . 0.5 OUTLIER -49.29 -61.36 2.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.564 ' CD2' ' HD3' ' A' ' 95' ' ' LYS . 61.9 t80 -53.32 -51.23 63.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.51 -22.21 12.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.145 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -85.7 -57.73 2.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.44 ' O ' ' CD1' ' A' ' 136' ' ' ILE . 30.3 mt -49.13 -64.77 0.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 132' ' ' LEU . 6.0 t-80 -36.21 -64.81 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.494 ' O ' ' N ' ' A' ' 136' ' ' ILE . 5.4 t60 -47.74 -59.16 3.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.444 ' NH2' ' OD2' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -37.95 -27.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 -179.855 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.494 ' N ' ' O ' ' A' ' 134' ' ' HIS . 3.8 mp -92.27 -48.1 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 59.2 mt -46.89 -29.82 2.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.922 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -74.49 -39.06 62.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.8 mt -69.83 -55.63 9.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.994 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.436 ' HA ' ' CG2' ' A' ' 143' ' ' VAL . 4.0 ptm180 -50.66 -22.57 2.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.875 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 13.1 t -77.6 -38.83 47.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.896 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 145' ' ' SER . 4.4 mtp-105 -80.98 -54.73 5.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.441 ' C ' ' O ' ' A' ' 142' ' ' ARG . 28.0 m -34.46 -43.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . 0.433 ' N ' HG22 ' A' ' 143' ' ' VAL . 7.6 mt-10 -100.48 -17.24 17.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 142' ' ' ARG . 9.7 t 61.49 44.22 9.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -89.45 161.32 29.84 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.479 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -39.52 6.41 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.723 2.282 . . . . 0.0 112.32 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 2.9 m -71.99 148.41 45.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 18.1 m -142.16 111.44 6.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.843 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.498 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.423 -0.271 . . . . 0.0 112.423 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.3 p -121.88 131.77 54.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.854 0.359 . . . . 0.0 110.833 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.8 t -94.09 135.68 35.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.65 122.43 5.29 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.444 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 m -77.18 153.17 34.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.845 0.355 . . . . 0.0 110.893 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.4 p -122.81 173.34 7.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.836 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.77 -135.32 7.93 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.515 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.0 t -161.82 136.68 7.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.796 0.332 . . . . 0.0 111.125 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -173.36 177.61 2.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -107.73 144.5 34.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.8 mttt -134.72 128.72 33.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.423 ' HB3' ' NZ ' ' A' ' 16' ' ' LYS . 1.8 m -65.46 -175.35 0.25 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.2 mp -60.54 126.43 27.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.504 ' O ' ' CG ' ' A' ' 15' ' ' GLU . 1.1 tp -43.9 165.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 12.4 pt-20 46.26 55.04 7.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.423 ' NZ ' ' HB3' ' A' ' 12' ' ' CYS . 3.2 tppp? -100.17 155.59 17.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.412 ' O ' ' C ' ' A' ' 18' ' ' GLU . 15.9 m -81.06 -36.16 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.119 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 17' ' ' VAL . 7.0 pt-20 -37.63 -37.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.44 HG23 ' N ' ' A' ' 20' ' ' ILE . 32.3 m -88.7 -48.64 14.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.121 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.44 ' N ' HG23 ' A' ' 19' ' ' VAL . 72.7 mt -47.2 137.14 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.419 ' N ' HG23 ' A' ' 20' ' ' ILE . 1.3 m -67.81 157.33 35.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -49.57 -22.33 3.86 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.524 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 52.18 44.8 29.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.8 0.333 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 9.6 pt-20 -119.76 -40.44 2.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.423 ' N ' ' HG3' ' A' ' 24' ' ' GLU . . . -83.08 42.87 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -81.72 -175.02 5.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.402 ' O ' ' OD1' ' A' ' 57' ' ' ASN . 3.3 t -138.35 157.86 45.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -136.54 107.53 6.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 30' ' ' LEU . 6.3 p -79.44 -33.71 15.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.118 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.47 ' N ' HG13 ' A' ' 29' ' ' VAL . 3.3 pp -166.85 128.17 1.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.505 ' CG ' ' CD1' ' A' ' 53' ' ' LEU . 32.0 tt0 -120.01 140.16 51.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -162.8 141.41 8.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -71.95 131.31 42.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.457 ' SG ' ' CB ' ' A' ' 120' ' ' ALA . 1.8 t -150.5 179.25 8.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -113.54 157.51 21.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.7 tp -132.54 128.08 36.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.955 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -123.76 129.41 51.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.422 ' CG2' ' HD3' ' A' ' 114' ' ' LYS . 3.9 p -111.89 126.11 69.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.094 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -72.62 111.48 7.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.941 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 42' ' ' THR . 2.5 m-20 -97.52 101.71 13.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.403 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 12.2 ttmt -41.59 -24.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 40' ' ' ASP . 48.4 m -62.75 -44.96 94.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.9 m -96.39 -23.7 16.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.403 ' NE2' ' O ' ' A' ' 41' ' ' LYS . 1.3 mm-40 67.8 36.38 3.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.937 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t -156.1 170.16 22.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.508 ' CZ3' ' HB2' ' A' ' 117' ' ' LEU . 80.9 m95 -71.51 104.96 3.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 92.1 t -103.51 140.18 22.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.117 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -64.4 128.94 37.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.421 ' CZ ' ' HB ' ' A' ' 82' ' ' ILE . 0.6 OUTLIER -110.28 -37.32 5.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.788 -179.905 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 171.57 112.76 0.28 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.421 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.79 147.82 29.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.899 0.38 . . . . 0.0 110.814 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.413 ' N ' ' CE ' ' A' ' 73' ' ' MET . . . 165.55 -121.22 0.98 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.425 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.505 ' CD1' ' CG ' ' A' ' 31' ' ' GLN . 47.5 tp -98.09 146.88 25.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.807 0.337 . . . . 0.0 110.9 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.6 tp -143.87 127.49 17.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.29 150.78 30.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.802 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.458 HD22 ' CG1' ' A' ' 29' ' ' VAL . 3.1 tp -89.43 114.08 25.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.94 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 27' ' ' SER . 4.6 t-20 -91.94 127.3 37.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -95.53 126.89 41.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.503 ' O ' ' N ' ' A' ' 68' ' ' GLN . 17.7 ptt? -136.1 151.13 49.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.75 154.69 31.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.473 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -89.7 157.61 17.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.835 -179.772 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.46 -54.58 3.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.056 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -84.83 -8.94 58.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.856 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.447 ' OD1' ' NH2' ' A' ' 142' ' ' ARG . 68.3 m-20 -119.59 -18.99 8.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.833 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.473 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 53.8 13.07 2.96 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.418 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.8 t -97.79 174.98 6.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.8 0.333 . . . . 0.0 111.147 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -70.15 99.91 1.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 59' ' ' MET . 7.4 mm-40 -89.38 171.08 10.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 68.4 m -152.26 165.64 34.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -153.62 169.67 22.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.4 mt -107.79 113.33 26.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.3 t -115.09 145.55 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.413 ' CE ' ' N ' ' A' ' 52' ' ' GLY . 13.8 tpt -145.38 123.01 11.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 51.8 mtt-85 -111.16 132.11 54.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.832 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.1 p -71.46 161.05 31.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -90.01 146.15 24.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.79 -57.57 3.04 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.484 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.2 m -83.05 -23.47 33.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.939 0.4 . . . . 0.0 110.886 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 45.01 52.7 8.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.77 125.77 53.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.469 HD13 ' ND2' ' A' ' 84' ' ' ASN . 0.2 OUTLIER -61.0 133.77 56.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.909 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.421 ' HB ' ' CZ ' ' A' ' 49' ' ' ARG . 0.2 OUTLIER -127.77 -27.61 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.818 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.0 tp -125.83 132.61 52.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.495 ' OD1' ' CG2' ' A' ' 108' ' ' THR . 1.0 OUTLIER -162.83 106.55 1.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.8 t -144.87 146.45 32.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.441 ' HD2' ' NE2' ' A' ' 68' ' ' GLN . 23.1 ttpt -88.81 118.42 28.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.464 ' CD2' ' HE1' ' A' ' 91' ' ' MET . 7.6 mt -56.65 148.22 20.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.551 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 43.2 p90 -129.98 162.83 27.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.413 ' CB ' ' HA ' ' A' ' 140' ' ' ARG . . . -55.72 -46.1 77.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.139 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.551 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 59.9 mm-40 -82.62 32.01 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.926 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.464 ' HE1' ' CD2' ' A' ' 87' ' ' LEU . 2.5 tpp -72.8 144.26 47.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.827 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -107.5 110.44 22.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.9 tt -145.18 122.58 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -137.89 141.16 40.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.884 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.503 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 11.5 tptm -79.95 96.75 6.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.913 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.65 -42.84 77.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.053 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.5 t -147.21 165.28 30.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.88 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.16 -19.67 65.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 26.0 mttp -120.26 14.9 12.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.1 p -148.43 147.6 29.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.412 HD12 ' CG2' ' A' ' 125' ' ' THR . 6.1 mt -139.81 146.04 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.576 ' CD2' HD13 ' A' ' 117' ' ' LEU . 11.3 m170 -116.5 110.67 18.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.3 pp -127.17 147.12 32.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.066 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.9 p -98.82 120.48 39.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -138.73 166.22 24.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.039 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 14.8 mtt -93.07 164.51 13.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -103.11 161.71 13.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.822 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.495 ' CG2' ' OD1' ' A' ' 84' ' ' ASN . 76.2 p -87.13 -36.71 17.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -101.04 -53.12 3.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -64.19 -13.48 49.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 40.85 49.6 2.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -140.34 153.45 23.49 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.428 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 42.4 t -81.86 95.46 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.938 0.399 . . . . 0.0 111.118 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.571 ' HG3' ' CE1' ' A' ' 116' ' ' PHE . 1.5 ptpm? -112.0 146.85 37.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 4.0 p -87.43 117.67 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.144 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.571 ' CE1' ' HG3' ' A' ' 114' ' ' LYS . 86.5 m-85 -96.74 177.65 5.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.576 HD13 ' CD2' ' A' ' 102' ' ' HIS . 3.7 tp -129.45 151.29 50.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.438 HD13 ' CD2' ' A' ' 128' ' ' LEU . 7.6 mt -133.14 101.92 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.118 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.8 t -95.64 113.11 24.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.457 ' CB ' ' SG ' ' A' ' 34' ' ' CYS . . . -140.62 160.97 38.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.04 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 122' ' ' SER . 74.7 m -52.53 151.73 4.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 121' ' ' SER . 99.4 p -35.48 -47.41 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.831 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -75.13 -59.82 2.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.933 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -38.68 -51.79 1.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.412 ' CG2' HD12 ' A' ' 101' ' ' ILE . 89.5 m -54.75 -58.65 6.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -44.87 -43.9 8.5 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.542 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -53.61 -68.05 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.795 0.331 . . . . 0.0 110.835 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.438 ' CD2' HD13 ' A' ' 118' ' ' ILE . 9.0 tp -50.32 -63.58 1.08 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.503 ' CZ ' ' HB2' ' A' ' 95' ' ' LYS . 38.8 t80 -44.96 -58.11 3.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.966 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -50.76 -27.39 7.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.08 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.83 -65.34 0.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 135' ' ' ARG . 20.6 mt -41.52 -66.0 0.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.967 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.473 ' C ' ' O ' ' A' ' 132' ' ' LEU . 10.6 t-160 -31.27 -65.41 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -51.79 -42.76 62.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 132' ' ' LEU . 15.5 mmt180 -59.19 -30.35 68.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.469 ' N ' HD13 ' A' ' 136' ' ' ILE . 3.0 mm -76.79 -45.19 32.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.039 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.472 ' HA ' ' CG ' ' A' ' 140' ' ' ARG . 34.1 mt -46.74 -46.68 20.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.959 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -56.58 -32.85 65.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.149 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.8 mt -80.74 -66.89 0.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.472 ' CG ' ' HA ' ' A' ' 137' ' ' LEU . 4.0 ptm180 -42.03 -27.19 0.12 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.9 t -67.82 -42.17 81.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . 0.483 ' CZ ' ' HB3' ' A' ' 142' ' ' ARG . 10.8 mtp-105 -50.77 -44.31 58.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.829 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.427 ' C ' ' O ' ' A' ' 142' ' ' ARG . 96.8 t -34.92 -56.86 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.14 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -129.37 138.53 51.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 41.0 t -104.45 79.77 1.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -134.43 176.56 19.8 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.523 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.8 145.23 56.31 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.657 2.238 . . . . 0.0 112.298 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 79.8 p -150.85 118.15 6.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 19.2 m -89.76 -61.04 1.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 -179.959 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.0 t -145.29 156.86 44.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 0.0 110.828 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.4 m -100.24 96.74 7.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.944 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.73 -179.01 36.49 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.481 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.0 m -119.95 138.1 53.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.846 0.355 . . . . 0.0 110.868 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 m -90.31 -54.92 3.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.49 103.4 1.07 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.536 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 57.9 p -122.02 159.8 26.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.331 . . . . 0.0 111.176 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.23 150.04 11.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.11 152.11 20.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.421 ' O ' ' NZ ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -146.6 139.25 25.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 21.3 p -84.06 70.96 10.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.4 mp -153.09 154.04 34.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 mt -52.06 162.63 0.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 55.07 40.21 31.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 17' ' ' VAL . 4.7 tppt? -43.35 151.9 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 20' ' ' ILE . 27.1 m -70.15 -36.75 69.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -39.33 -33.42 0.15 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.459 HG22 ' N ' ' A' ' 20' ' ' ILE . 27.7 m -91.99 -30.42 4.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.074 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 17' ' ' VAL . 82.1 mt -71.39 145.73 12.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.104 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.5 m -69.59 166.87 18.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -76.77 54.52 3.38 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.497 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -66.58 -43.01 86.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.818 0.342 . . . . 0.0 110.898 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 12.0 pt-20 -77.12 -47.18 21.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.461 ' N ' ' HG3' ' A' ' 24' ' ' GLU . . . 37.44 34.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -73.28 169.3 17.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 35.0 m -122.01 118.84 29.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -103.28 86.22 2.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.465 ' CG2' HD21 ' A' ' 56' ' ' LEU . 91.7 t -38.43 -75.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 pp -140.41 136.3 32.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -117.65 132.78 56.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.958 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.0 ptm -159.27 143.76 15.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -74.72 123.85 25.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.449 ' SG ' ' CB ' ' A' ' 120' ' ' ALA . 1.8 t -141.83 176.16 9.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.551 ' CE ' ' CZ ' ' A' ' 37' ' ' PHE . 28.1 tttp -114.97 146.45 41.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.7 tp -120.56 130.4 54.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.812 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.551 ' CZ ' ' CE ' ' A' ' 35' ' ' LYS . 87.0 m-85 -121.18 137.29 54.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.95 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.438 ' CG1' ' O ' ' A' ' 38' ' ' VAL . 5.5 p -115.1 120.88 65.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.467 ' CZ ' ' HA ' ' A' ' 44' ' ' GLN . 20.9 t80 -87.71 116.91 26.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 42' ' ' THR . 5.8 t0 -98.96 101.19 12.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.826 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.7 tttm -39.09 -29.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.934 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 40' ' ' ASP . 36.3 m -58.89 -47.09 86.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.124 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.0 t -92.03 -26.33 18.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.86 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.467 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 1.4 mm-40 67.36 37.3 3.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.923 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.1 t -147.0 167.37 24.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.568 ' CH2' ' HB2' ' A' ' 117' ' ' LEU . 44.0 m95 -82.29 99.57 9.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.948 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.405 HG11 ' N ' ' A' ' 48' ' ' GLU . 91.7 t -97.03 135.79 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.166 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.405 ' N ' HG11 ' A' ' 47' ' ' VAL . 6.9 tm-20 -66.83 133.44 50.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.7 tpp180 -109.03 -48.9 3.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -177.86 127.54 1.19 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.519 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -116.6 148.88 40.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.858 0.361 . . . . 0.0 110.824 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 166.37 -118.05 0.78 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.538 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 51.7 tp -107.22 141.34 38.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.815 0.34 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.9 tp -137.96 131.57 31.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.977 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.444 ' NH2' HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -151.55 154.06 35.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.478 HD23 ' CD ' ' A' ' 135' ' ' ARG . 7.0 tp -95.55 115.21 27.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -101.45 137.5 39.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.911 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 59' ' ' MET . 0.8 OUTLIER -94.92 140.01 30.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.507 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 22.5 ptt? -147.68 149.24 32.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.65 150.95 30.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.099 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.472 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.6 OUTLIER -82.87 156.81 23.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.783 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.95 -46.64 5.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.092 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -90.64 -8.54 49.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.813 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -122.77 -17.57 6.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.472 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 53.33 16.54 4.93 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.444 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.657 ' HG1' ' NE ' ' A' ' 142' ' ' ARG . 10.4 t -102.74 173.86 6.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.809 0.337 . . . . 0.0 111.12 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.461 ' CD2' ' OD1' ' A' ' 58' ' ' ASP . 1.9 tm? -65.11 100.37 0.43 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.555 ' NE2' ' NZ ' ' A' ' 86' ' ' LYS . 6.5 mm-40 -90.6 170.65 9.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.891 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.45 ' OG ' ' NE ' ' A' ' 135' ' ' ARG . 68.5 m -149.8 144.28 25.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 32.2 ptt180 -142.34 151.51 42.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.4 mt -94.35 121.92 36.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.47 HG11 ' N ' ' A' ' 73' ' ' MET . 3.4 t -117.48 141.35 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.47 ' N ' HG11 ' A' ' 72' ' ' VAL . 11.0 tpt -142.19 128.93 20.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 45.4 mtm180 -122.37 128.34 50.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.9 p -72.58 142.11 48.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -20.84 66.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -56.27 -78.08 0.13 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 79' ' ' LEU . 3.2 t -126.28 44.06 2.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.927 0.394 . . . . 0.0 110.895 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 78' ' ' SER . 38.2 mt 36.84 38.18 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 49.0 ttt85 -85.51 142.08 29.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.21 134.0 34.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.41 HG12 ' N ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -126.25 -24.47 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.833 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.41 ' N ' HG12 ' A' ' 82' ' ' ILE . 6.4 tp -126.14 107.39 10.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -134.91 69.84 1.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.3 t -110.16 152.57 25.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.555 ' NZ ' ' NE2' ' A' ' 68' ' ' GLN . 5.9 tmmm? -100.2 124.98 46.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.464 ' CD2' ' HE1' ' A' ' 91' ' ' MET . 41.8 mt -56.8 141.4 44.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.568 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 46.1 p90 -127.39 154.95 44.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.96 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.423 ' C ' ' H ' ' A' ' 91' ' ' MET . . . -48.1 -49.83 30.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.135 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.568 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 89.4 mm-40 -80.33 31.18 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.518 ' HA ' ' CE2' ' A' ' 88' ' ' TRP . 3.1 tpp -73.35 142.65 47.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -105.31 119.36 38.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.922 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.3 tt -151.99 117.22 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.155 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -134.04 139.2 45.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.494 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 12.1 tptm -75.89 98.51 4.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.525 ' HB3' ' CD2' ' A' ' 102' ' ' HIS . . . -66.26 -48.14 71.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.123 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.1 m -142.64 -175.29 4.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.743 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -76.6 -39.17 53.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.47 26.42 9.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.7 m -159.12 152.22 22.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.819 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 6.8 mt -140.08 158.02 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.179 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.525 ' CD2' ' HB3' ' A' ' 96' ' ' ALA . 3.6 m-70 -119.34 100.7 7.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.1 pp -120.71 140.77 43.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.095 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 37.2 p -96.65 123.46 40.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -134.11 170.85 15.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 35.2 mtt -107.2 153.16 23.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -88.32 166.42 14.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.856 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 69.1 p -87.5 -38.1 16.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -94.88 -55.94 2.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -68.17 -16.65 64.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 40.31 46.07 1.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -128.02 149.97 18.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.557 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 60.7 t -84.84 117.77 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.903 0.383 . . . . 0.0 111.151 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.456 ' HD2' ' CZ ' ' A' ' 116' ' ' PHE . 7.2 ptpt -128.0 174.1 9.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 83.7 t -93.95 109.99 22.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.456 ' CZ ' ' HD2' ' A' ' 114' ' ' LYS . 49.3 m-85 -98.55 171.79 7.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.974 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.568 ' HB2' ' CH2' ' A' ' 46' ' ' TRP . 3.7 tp -137.08 155.02 50.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.484 ' CG2' HD23 ' A' ' 128' ' ' LEU . 10.1 mt -134.49 101.13 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.16 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 41.7 t -92.32 111.03 22.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.78 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.449 ' CB ' ' SG ' ' A' ' 34' ' ' CYS . . . -137.26 177.58 7.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.084 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 122' ' ' SER . 2.9 m -61.92 145.06 54.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 121' ' ' SER . 67.1 p -37.77 -36.13 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.793 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.2 -58.15 2.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -44.39 -54.44 5.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.849 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 73.6 m -43.44 -42.04 4.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -68.82 -35.02 78.78 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.48 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -58.87 -68.32 0.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.817 0.341 . . . . 0.0 110.936 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.484 HD23 ' CG2' ' A' ' 118' ' ' ILE . 1.1 pp -53.34 -39.54 64.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.494 ' CZ ' ' HB2' ' A' ' 95' ' ' LYS . 18.6 t80 -59.69 -57.66 11.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -49.53 -41.33 40.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.067 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 132' ' ' LEU . . . -62.91 -66.34 0.56 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.121 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.484 ' O ' ' C ' ' A' ' 133' ' ' HIS . 9.2 mp -36.75 -67.7 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.484 ' C ' ' O ' ' A' ' 132' ' ' LEU . 2.4 t-160 -31.64 -67.15 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.825 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 135' ' ' ARG . 55.6 t60 -47.69 -57.86 5.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.861 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.478 ' CD ' HD23 ' A' ' 56' ' ' LEU . 7.7 mmm180 -35.89 -36.98 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.412 HG12 ' HB3' ' A' ' 91' ' ' MET . 4.1 mp -85.59 -48.22 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 56.0 mt -45.08 -29.58 0.92 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.965 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -75.93 -36.38 59.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.052 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.7 mt -73.28 -56.51 4.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.935 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -47.83 -24.26 0.95 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 29.3 t -78.52 -42.56 29.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.824 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . 0.657 ' NE ' ' HG1' ' A' ' 66' ' ' THR . 24.0 mtt-85 -62.97 -48.53 78.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.81 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 99.8 t -43.32 -63.36 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.168 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -123.3 141.33 52.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.4 t -81.03 97.12 7.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -130.98 145.75 17.18 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.69 128.79 16.6 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.751 2.301 . . . . 0.0 112.309 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 38.7 m -101.5 -61.61 1.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 34.1 p -120.33 129.61 54.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.473 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -100.35 -50.0 4.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.868 0.366 . . . . 0.0 110.853 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.6 t -130.28 147.87 52.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.827 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.02 -140.95 3.12 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.494 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.6 p -139.15 166.07 25.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.866 0.365 . . . . 0.0 110.837 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.7 p -105.43 171.81 7.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.903 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.86 140.15 2.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.504 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.4 t -160.53 128.63 4.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.815 0.341 . . . . 0.0 111.096 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -135.95 145.48 46.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.55 135.74 13.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.5 ttpt -110.39 119.73 40.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 23.7 p -67.44 162.79 22.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.817 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 tt 71.32 48.59 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 15' ' ' GLU . 4.6 mp -155.54 156.55 35.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 14' ' ' LEU . 31.6 mt-10 34.91 36.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.424 ' O ' ' CG2' ' A' ' 19' ' ' VAL . 0.1 OUTLIER -100.12 144.77 28.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.9 m -68.17 -31.33 51.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.136 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -46.67 -36.28 6.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.84 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.447 HG22 ' N ' ' A' ' 20' ' ' ILE . 26.8 m -85.61 -31.07 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.447 ' N ' HG22 ' A' ' 19' ' ' VAL . 16.1 mt -67.08 140.35 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.425 ' N ' HG21 ' A' ' 20' ' ' ILE . 60.4 m -86.24 -75.35 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.117 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.21 -40.53 52.52 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.51 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 45.06 38.53 3.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.792 0.329 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 12.1 pt-20 -114.47 -51.98 2.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.839 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.418 ' N ' ' HG3' ' A' ' 24' ' ' GLU . . . 43.94 38.75 2.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.077 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -82.39 155.6 24.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 t -146.29 109.45 4.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.856 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -83.0 110.57 18.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.466 ' HB ' ' CD2' ' A' ' 56' ' ' LEU . 85.4 t -67.02 -67.39 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.422 ' C ' HD12 ' A' ' 30' ' ' LEU . 4.5 pp -135.7 139.41 43.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.416 ' CD ' HD21 ' A' ' 53' ' ' LEU . 18.7 tt0 -129.3 132.1 47.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.403 ' CE ' ' HB3' ' A' ' 124' ' ' ASP . 5.1 ptt? -158.96 161.01 36.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -85.69 118.69 25.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.49 ' SG ' ' CG2' ' A' ' 118' ' ' ILE . 1.5 t -137.82 177.45 7.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.831 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -118.96 138.32 52.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.3 tp -111.99 121.96 46.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -115.53 140.86 48.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 8.2 p -120.61 130.06 74.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.106 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.486 ' CZ ' ' HA ' ' A' ' 44' ' ' GLN . 20.9 t80 -85.69 131.36 34.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 42' ' ' THR . 7.9 t0 -116.99 104.16 11.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.5 ptpp? -41.71 -24.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 40' ' ' ASP . 76.8 m -63.06 -43.97 97.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.154 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.1 t -101.5 -10.97 19.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.801 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.486 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 0.9 OUTLIER 54.75 34.42 21.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -148.46 167.94 24.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.504 ' CZ3' ' HB2' ' A' ' 117' ' ' LEU . 97.3 m95 -79.02 111.21 15.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.859 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 90.3 t -104.64 140.86 21.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -52.75 142.13 19.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -123.68 -37.01 2.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 163.06 126.24 0.81 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.443 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.7 ptp180 -117.77 149.95 39.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.82 0.343 . . . . 0.0 110.88 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 170.83 -105.98 0.23 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.55 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.416 HD21 ' CD ' ' A' ' 31' ' ' GLN . 10.8 tp -136.03 118.65 15.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.832 0.349 . . . . 0.0 110.93 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.0 tp -94.73 142.19 27.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.963 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.455 ' HG2' ' CG2' ' A' ' 72' ' ' VAL . 13.4 ptt180 -151.32 153.5 34.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.47 HD13 ' CD ' ' A' ' 135' ' ' ARG . 3.2 tp -107.47 112.56 25.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -96.12 131.87 42.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.438 ' OD1' ' CD2' ' A' ' 67' ' ' LEU . 8.2 t0 -97.13 142.56 28.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.475 ' CE ' ' HG3' ' A' ' 86' ' ' LYS . 19.5 ptt? -146.43 155.19 42.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.41 145.99 26.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.451 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -80.81 160.47 24.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.845 -179.786 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.0 -69.7 0.75 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -71.32 -19.76 62.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -104.78 -23.85 12.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.451 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 56.15 10.68 4.05 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.497 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.439 HG22 ' CD ' ' A' ' 142' ' ' ARG . 6.5 t -93.58 172.49 8.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.35 . . . . 0.0 111.181 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.438 ' CD2' ' OD1' ' A' ' 58' ' ' ASP . 3.4 tm? -65.87 100.08 0.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 59' ' ' MET . 5.9 mm-40 -91.54 165.69 13.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.426 ' C ' HD12 ' A' ' 87' ' ' LEU . 9.5 m -149.16 169.85 19.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.403 ' N ' HD12 ' A' ' 87' ' ' LEU . 1.3 ptp85 -158.48 160.45 36.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.897 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.9 mt -93.17 155.24 17.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.455 ' CG2' ' HG2' ' A' ' 55' ' ' ARG . 0.9 OUTLIER -153.03 153.69 8.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.819 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 8.3 tpt -153.18 113.55 4.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.44 ' NH1' ' NH1' ' A' ' 55' ' ' ARG . 30.3 mtm180 -106.1 129.89 54.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.7 p -74.11 152.61 39.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.101 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -80.39 83.6 6.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -176.74 -71.91 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.498 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.5 m -130.22 39.9 3.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.815 0.34 . . . . 0.0 110.839 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 35.9 mt 39.85 46.9 1.75 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.955 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -85.67 118.19 25.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.3 132.8 35.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.406 HG12 ' N ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -125.96 -22.18 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.828 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.406 ' N ' HG12 ' A' ' 82' ' ' ILE . 11.3 tp -124.84 107.88 11.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -142.0 105.02 4.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.7 t -139.88 156.36 46.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.475 ' HG3' ' CE ' ' A' ' 59' ' ' MET . 23.7 ttpt -97.6 123.09 41.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.514 HD13 ' NE ' ' A' ' 135' ' ' ARG . 1.1 mt -57.91 154.78 11.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.957 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.613 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 48.3 p90 -140.59 150.4 43.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.871 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -46.61 -43.95 17.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.613 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 3.1 mp0 -82.11 24.8 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.517 ' HA ' ' CE2' ' A' ' 88' ' ' TRP . 3.7 tpp -68.26 135.28 51.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -99.11 123.61 43.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.962 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.465 HD13 ' CD2' ' A' ' 132' ' ' LEU . 1.2 tt -154.42 113.78 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.081 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -128.28 142.99 50.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.828 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -82.46 95.19 7.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.559 ' HB3' ' CD2' ' A' ' 102' ' ' HIS . . . -66.23 -43.92 85.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.089 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.7 t -149.12 171.32 16.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.782 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -75.12 -4.38 38.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 23.8 mtmt -129.36 -2.95 4.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.2 t -136.76 146.66 46.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.406 HG21 ' CG2' ' A' ' 103' ' ' ILE . 54.2 mt -138.24 138.37 43.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.146 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.559 ' CD2' ' HB3' ' A' ' 96' ' ' ALA . 14.2 m170 -102.94 104.44 14.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.816 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.406 ' CG2' HG21 ' A' ' 101' ' ' ILE . 0.9 OUTLIER -118.45 143.53 29.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.142 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 10.3 p -98.5 118.34 34.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -136.18 166.96 22.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.135 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 40.2 mtt -98.55 136.43 38.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.495 ' OD2' ' N ' ' A' ' 110' ' ' ASP . 3.9 p-10 -83.84 169.4 15.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.935 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 48.4 p -104.56 -14.82 15.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -86.36 -57.0 3.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.913 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.495 ' N ' ' OD2' ' A' ' 107' ' ' ASP . 23.4 t70 -100.09 8.72 43.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.486 ' N ' ' OD2' ' A' ' 107' ' ' ASP . 11.1 mt-30 34.81 51.6 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -132.11 167.91 22.72 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.487 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 58.5 t -96.84 118.8 43.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.875 0.369 . . . . 0.0 111.121 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.411 ' NZ ' ' HB3' ' A' ' 114' ' ' LYS . 1.4 ptpm? -132.76 162.86 30.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.926 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 89.5 t -83.17 112.92 21.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.199 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -99.76 173.91 6.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.504 ' HB2' ' CZ3' ' A' ' 46' ' ' TRP . 3.4 tp -137.24 156.54 48.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.49 ' CG2' ' SG ' ' A' ' 34' ' ' CYS . 24.9 mt -133.53 107.64 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.162 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.3 t -96.4 109.35 21.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -139.93 172.79 12.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.058 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 122' ' ' SER . 45.7 t -59.13 144.74 44.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 121' ' ' SER . 5.1 p -37.32 -35.16 0.11 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -86.91 -63.68 1.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 127' ' ' GLN . 24.4 m-20 -40.31 -61.04 0.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.926 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 124' ' ' ASP . 19.7 m -36.05 -35.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 124' ' ' ASP . . . -73.23 -41.46 46.51 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.422 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 124' ' ' ASP . 7.5 mt-30 -42.72 -69.51 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.853 0.359 . . . . 0.0 110.9 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.492 ' HG ' ' N ' ' A' ' 129' ' ' TYR . 1.2 pt? -53.08 -40.8 64.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.959 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.492 ' N ' ' HG ' ' A' ' 128' ' ' LEU . 16.7 t80 -53.81 -63.0 1.29 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -48.94 -19.08 0.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.102 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 132' ' ' LEU . . . -88.43 -59.99 2.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.095 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.491 ' HA ' ' NE ' ' A' ' 135' ' ' ARG . 3.6 mp -38.02 -63.82 0.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.454 ' C ' ' O ' ' A' ' 132' ' ' LEU . 2.2 t-160 -34.25 -64.62 0.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.504 ' O ' ' N ' ' A' ' 136' ' ' ILE . 55.4 t60 -47.1 -59.5 3.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.514 ' NE ' HD13 ' A' ' 87' ' ' LEU . 46.1 mtm180 -36.01 -30.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.504 ' N ' ' O ' ' A' ' 134' ' ' HIS . 3.6 mp -94.28 -46.88 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.106 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.483 ' CD1' ' HA ' ' A' ' 134' ' ' HIS . 5.8 mt -50.94 -33.12 23.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -69.36 -24.89 63.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.14 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.1 mt -90.21 -55.73 3.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.467 ' CG ' ' HA ' ' A' ' 137' ' ' LEU . 2.7 ptp180 -57.58 -19.09 23.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 47.1 t -75.43 -35.16 61.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 142' ' ' ARG . 5.3 mtp-105 -72.65 -51.68 18.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 26.9 m -55.47 -46.42 78.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -137.98 118.56 13.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.821 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 28.0 t -126.8 123.12 36.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -71.12 165.38 53.26 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -2.12 9.6 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.685 2.257 . . . . 0.0 112.343 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 58.4 m -57.82 141.36 49.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.791 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 34.6 p -108.62 154.79 21.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.506 -179.966 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.541 -0.223 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.7 p -128.41 153.48 47.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.88 0.371 . . . . 0.0 110.869 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.7 t -88.12 -54.89 3.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.829 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.04 -179.76 45.19 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.509 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -132.91 122.49 24.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.836 0.351 . . . . 0.0 110.89 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.2 p -112.37 174.53 5.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.98 128.87 2.0 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.538 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.7 t -172.48 163.97 5.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.811 0.339 . . . . 0.0 111.1 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.55 178.71 4.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.085 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.47 154.29 14.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.922 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.5 -3.72 19.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.9 m -150.61 108.85 3.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 25.1 tp -77.28 121.34 23.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 mp -70.95 -31.73 68.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -84.58 23.77 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.56 151.44 21.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.962 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.496 ' O ' ' N ' ' A' ' 20' ' ' ILE . 2.0 t -93.62 -37.15 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.114 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 17' ' ' VAL . 9.5 pt-20 -37.09 -39.38 0.24 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.0 m -80.39 -36.44 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.139 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.496 ' N ' ' O ' ' A' ' 17' ' ' VAL . 71.1 mt -66.88 136.86 25.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.181 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.436 ' N ' HG22 ' A' ' 20' ' ' ILE . 57.9 m -80.74 -74.69 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -168.25 49.94 0.23 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.434 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 24' ' ' GLU . 16.0 pt-20 -95.26 43.79 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.339 . . . . 0.0 110.818 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 17.0 pt-20 -34.72 -49.01 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.454 ' N ' ' HG3' ' A' ' 24' ' ' GLU . . . 44.95 26.03 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -128.94 160.59 32.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.9 t -122.58 153.81 38.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -126.92 88.1 2.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.431 ' CG2' HD23 ' A' ' 56' ' ' LEU . 76.9 t -47.99 -60.7 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.086 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.419 HD13 ' C ' ' A' ' 30' ' ' LEU . 4.0 pp -151.86 140.58 20.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.409 ' CG ' HD13 ' A' ' 53' ' ' LEU . 31.0 tt0 -117.96 138.53 52.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.6 ptm -161.31 130.46 4.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -67.72 130.53 43.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.2 t -151.04 177.23 10.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -114.86 162.63 16.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.0 tp -128.65 121.25 28.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.962 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -116.21 117.43 30.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.7 p -104.68 137.88 31.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.077 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.417 ' CZ ' ' HA ' ' A' ' 44' ' ' GLN . 10.8 t80 -85.35 132.68 34.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 42' ' ' THR . 4.6 m-20 -121.16 104.4 9.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.479 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 2.8 ptpp? -37.88 -27.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.828 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.492 ' N ' ' O ' ' A' ' 40' ' ' ASP . 36.4 m -60.29 -49.5 77.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.18 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.5 t -91.93 -24.48 19.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.479 ' NE2' ' O ' ' A' ' 41' ' ' LYS . 1.0 OUTLIER 66.61 36.01 5.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.9 m -161.38 -178.44 6.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.509 ' CH2' ' HB2' ' A' ' 117' ' ' LEU . 68.6 m95 -72.36 113.8 9.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 71.1 t -109.83 135.96 47.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.075 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -52.15 132.05 32.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.73 -31.18 4.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.839 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 158.81 132.98 1.45 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.506 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.5 ptp85 -120.8 141.29 50.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.764 0.316 . . . . 0.0 110.928 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.436 ' N ' ' HE1' ' A' ' 73' ' ' MET . . . 171.12 -134.66 3.18 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.488 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.409 HD13 ' CG ' ' A' ' 31' ' ' GLN . 43.9 tp -96.44 148.72 22.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.809 0.338 . . . . 0.0 110.924 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.6 tp -142.89 133.32 24.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.44 ' NH2' HG12 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -151.33 155.38 38.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.431 HD23 ' CG2' ' A' ' 29' ' ' VAL . 3.3 tp -91.64 110.86 22.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -92.44 142.65 27.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -108.49 138.79 44.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.5 ' O ' ' N ' ' A' ' 68' ' ' GLN . 21.7 ptt? -150.14 152.54 34.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -83.21 157.36 22.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.468 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -88.34 157.66 18.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 -179.759 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.7 -47.87 5.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.157 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -90.32 -9.59 47.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.878 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -121.59 -14.56 8.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.468 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 50.07 16.22 1.25 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.451 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.0 t -99.25 174.61 6.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.878 0.37 . . . . 0.0 111.122 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -68.3 99.9 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.6 ' NE2' ' HZ1' ' A' ' 86' ' ' LYS . 6.7 mm-40 -87.95 170.79 10.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.9 m -155.76 150.51 26.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.808 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.419 ' CB ' ' HA ' ' A' ' 86' ' ' LYS . 1.9 ptp180 -146.26 163.06 36.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.845 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.451 ' CD2' HD21 ' A' ' 132' ' ' LEU . 7.0 mt -102.48 121.78 43.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.44 HG12 ' NH2' ' A' ' 55' ' ' ARG . 3.2 t -117.45 142.22 32.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.477 ' SD ' ' N ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -144.95 124.4 13.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.848 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.477 ' N ' ' SD ' ' A' ' 73' ' ' MET . 83.3 mtt180 -122.04 127.94 50.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.88 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.2 p -68.59 152.0 45.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.17 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.451 ' CD ' ' O ' ' A' ' 76' ' ' GLN . 0.0 OUTLIER -78.45 132.12 37.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 128.98 -69.23 0.53 Allowed Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.478 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.6 p -128.03 28.72 5.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.921 0.391 . . . . 0.0 110.872 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 42.9 mt 37.7 53.31 1.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -85.38 102.12 13.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.464 ' HG ' ' ND2' ' A' ' 84' ' ' ASN . 0.5 OUTLIER -58.72 134.04 56.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.454 HG12 ' N ' ' A' ' 83' ' ' LEU . 0.3 OUTLIER -129.24 -30.29 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.092 179.9 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.454 ' N ' HG12 ' A' ' 82' ' ' ILE . 3.8 tp -122.83 130.94 53.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.959 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.464 ' ND2' ' HG ' ' A' ' 81' ' ' LEU . 15.5 m-20 -163.38 105.82 0.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.2 t -147.25 141.26 25.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.6 ' HZ1' ' NE2' ' A' ' 68' ' ' GLN . 3.8 tmmm? -82.87 128.98 34.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.502 ' CD2' ' CE ' ' A' ' 91' ' ' MET . 27.6 mt -61.21 136.36 58.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.945 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.556 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 42.1 p90 -116.32 160.51 20.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.992 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.67 -45.33 70.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.112 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.556 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 27.1 mm-40 -83.93 32.31 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.958 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.502 ' CE ' ' CD2' ' A' ' 87' ' ' LEU . 1.1 tpp -68.7 138.59 55.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -106.2 111.46 24.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.9 tt -145.84 116.98 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.076 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -125.68 144.56 50.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.503 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 11.1 tptm -86.43 95.43 9.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.02 -38.38 90.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.104 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.4 t -160.75 172.6 16.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -77.41 -0.27 25.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 51.5 mttt -121.06 -27.78 4.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 80.2 p -122.7 154.4 38.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.828 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.459 ' CD1' HG21 ' A' ' 125' ' ' THR . 7.2 mt -138.71 144.84 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.12 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.548 ' CD2' HD11 ' A' ' 117' ' ' LEU . 11.2 m170 -111.28 109.65 19.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.802 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.2 pp -125.9 143.39 39.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.073 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 35.6 p -98.76 126.69 44.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.19 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -140.09 167.64 21.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.0 mtt -95.06 161.93 13.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -96.8 171.51 8.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 72.1 p -93.45 -37.06 12.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -100.18 -54.99 2.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -65.0 -13.06 56.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 40.92 45.01 2.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -137.4 150.7 20.85 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.561 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 43.6 t -81.34 138.47 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.961 0.41 . . . . 0.0 111.109 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -144.0 176.65 9.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 45.4 t -94.12 102.67 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.062 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -95.86 136.75 35.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.548 HD11 ' CD2' ' A' ' 102' ' ' HIS . 4.8 tp -101.08 155.27 18.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 57.5 mt -129.79 102.83 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.193 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 46.7 t -94.05 104.53 16.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -134.07 174.77 10.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.098 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 122' ' ' SER . 47.7 t -69.91 141.67 53.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.803 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 121' ' ' SER . 5.5 p -35.97 -35.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 121' ' ' SER . 52.0 tptt -79.85 -60.22 2.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.858 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 125' ' ' THR . 69.9 m-20 -50.96 -53.78 30.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.459 HG21 ' CD1' ' A' ' 101' ' ' ILE . 47.2 m -36.83 -52.22 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -55.58 -54.96 31.19 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.52 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -40.76 -69.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 110.94 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 129' ' ' TYR . 30.8 tp -47.75 -66.95 0.32 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.503 ' CZ ' ' HB2' ' A' ' 95' ' ' LYS . 37.9 t80 -35.94 -59.5 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -47.79 -42.68 26.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.109 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 128' ' ' LEU . . . -61.88 -69.53 0.24 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.09 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 133' ' ' HIS . 11.0 mp -45.43 -69.08 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.452 ' C ' ' O ' ' A' ' 132' ' ' LEU . 11.9 t-80 -34.3 -55.82 0.51 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 135' ' ' ARG . 50.6 t60 -55.59 -58.89 5.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 134' ' ' HIS . 0.2 OUTLIER -37.93 -42.32 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 -179.899 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' A' ' 139' ' ' LEU . 2.9 mm -64.69 -53.7 38.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 36.6 mt -38.74 -40.28 0.59 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -67.28 -39.35 86.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.102 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 136' ' ' ILE . 4.6 mt -71.11 -55.73 7.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -42.03 -40.16 2.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 33.3 t -56.04 -41.86 75.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . 0.427 ' O ' ' C ' ' A' ' 143' ' ' VAL . 27.1 mtp85 -53.2 -43.43 67.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.427 ' C ' ' O ' ' A' ' 142' ' ' ARG . 89.3 t -35.25 -56.14 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.088 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -132.87 139.14 47.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 36.3 p -74.03 101.19 3.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.817 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -89.86 -176.83 45.31 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.531 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -1.72 8.98 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.608 2.205 . . . . 0.0 112.362 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 98.8 p -44.02 99.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 89.9 p -77.51 136.66 38.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.445 179.968 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 t -156.53 164.08 38.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.829 0.347 . . . . 0.0 110.84 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.6 p -86.93 165.61 15.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.908 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.14 52.33 0.8 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.466 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.6 p -115.58 171.19 7.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.832 0.349 . . . . 0.0 110.918 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.2 p -63.99 124.62 22.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.84 49.37 0.58 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.452 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.6 t -85.08 162.42 19.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.804 0.335 . . . . 0.0 111.131 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -145.14 174.99 10.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.103 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.23 158.89 43.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.4 mmtm -141.86 124.0 15.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.0 t -173.0 115.56 0.27 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.5 mt -160.11 -176.68 5.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.7 mt -50.19 -41.5 49.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.917 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.5 pm0 -76.78 59.51 1.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.819 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -74.71 155.06 38.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.502 ' O ' ' N ' ' A' ' 20' ' ' ILE . 2.0 t -82.89 -41.04 16.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.149 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -39.66 -33.02 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.2 m -88.93 -31.17 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.502 ' N ' ' O ' ' A' ' 17' ' ' VAL . 80.9 mt -51.24 158.84 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.172 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.497 ' N ' ' CG2' ' A' ' 20' ' ' ILE . 0.2 OUTLIER -102.19 164.09 11.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.092 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 25' ' ' ALA . . . 77.14 -38.61 1.58 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.475 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.407 ' H ' ' C ' ' A' ' 21' ' ' THR . 1.1 pt-20 -40.59 -40.4 1.25 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.854 0.359 . . . . 0.0 110.875 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -81.06 -28.01 35.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 22' ' ' GLY . . . -98.83 29.29 3.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.144 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -66.02 -175.85 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.2 m -96.8 148.64 22.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.448 ' ND2' ' HB2' ' A' ' 55' ' ' ARG . 0.9 OUTLIER -130.47 114.41 15.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.0 t -68.09 -66.58 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.109 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.421 HD13 ' C ' ' A' ' 30' ' ' LEU . 4.5 pp -138.63 140.44 38.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -126.47 134.87 50.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.445 ' CE ' HD23 ' A' ' 128' ' ' LEU . 4.1 ptm -161.27 142.43 11.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -70.44 122.31 19.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.416 ' SG ' ' CG2' ' A' ' 118' ' ' ILE . 1.8 t -139.17 177.89 7.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -116.64 159.57 22.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.2 tp -130.49 135.09 47.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -135.35 135.69 40.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.56 ' CG1' ' CE2' ' A' ' 116' ' ' PHE . 31.3 m -121.59 150.25 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -87.34 134.34 33.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.838 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.48 ' O ' ' C ' ' A' ' 41' ' ' LYS . 1.4 t0 -122.96 93.14 3.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.492 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 3.6 ttmm -31.38 -38.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 40' ' ' ASP . 9.9 m -54.51 -51.75 64.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 40' ' ' ASP . 8.7 t -85.75 -26.26 25.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.492 ' NE2' ' O ' ' A' ' 41' ' ' LYS . 1.4 mm-40 65.97 38.6 4.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 34.1 m -164.61 174.77 10.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 63.8 m95 -71.35 125.68 27.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 76.7 t -118.7 135.12 60.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.064 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -62.62 121.82 14.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -103.19 -37.42 7.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 169.06 118.1 0.43 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.486 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -111.7 137.69 49.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.798 0.333 . . . . 0.0 110.885 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.505 ' N ' ' CE ' ' A' ' 73' ' ' MET . . . 177.76 -127.27 1.16 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.421 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.4 tp -98.42 134.88 40.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.342 . . . . 0.0 110.989 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.4 tp -131.94 134.77 46.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.448 ' HB2' ' ND2' ' A' ' 28' ' ' ASN . 0.0 OUTLIER -151.27 153.02 34.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.876 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.2 tp -96.4 108.21 20.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -92.51 143.68 26.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.823 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -111.44 126.67 55.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.495 ' O ' ' N ' ' A' ' 68' ' ' GLN . 11.7 ptt? -128.44 161.08 30.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.33 147.66 25.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.062 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.467 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.5 OUTLIER -83.63 156.07 22.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.882 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.88 -51.44 3.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.145 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -86.25 -10.37 54.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.808 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -119.63 -17.34 8.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.467 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 52.61 14.07 2.29 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.49 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.1 t -99.17 174.66 6.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.821 0.343 . . . . 0.0 111.129 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -68.43 99.49 0.96 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 59' ' ' MET . 6.6 mm-40 -88.67 171.03 10.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.2 m -151.18 164.79 35.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -155.79 163.36 39.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.463 ' CD2' HD11 ' A' ' 132' ' ' LEU . 9.7 mt -104.44 119.35 38.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.959 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.3 t -120.9 146.56 25.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.11 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.505 ' CE ' ' N ' ' A' ' 52' ' ' GLY . 12.2 tpt -149.21 114.27 5.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.8 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.471 ' NE ' HD11 ' A' ' 79' ' ' LEU . 42.7 mtp180 -105.7 130.72 53.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.9 p -68.23 155.64 39.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.083 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.435 ' CD ' ' O ' ' A' ' 76' ' ' GLN . 3.3 pp0? -92.33 39.97 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -123.73 -69.23 0.22 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.508 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 79' ' ' LEU . 7.5 m -134.18 43.33 2.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.888 0.375 . . . . 0.0 110.795 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.471 HD11 ' NE ' ' A' ' 74' ' ' ARG . 4.0 mm? 37.28 53.51 1.28 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.826 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.1 tpp85 -104.59 110.44 22.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.43 HD12 ' N ' ' A' ' 82' ' ' ILE . 0.1 OUTLIER -66.76 129.87 41.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.896 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.43 ' N ' HD12 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -124.02 -21.2 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.096 179.857 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.9 tp -127.73 112.18 14.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.451 ' OD1' ' C ' ' A' ' 84' ' ' ASN . 9.6 t-20 -145.03 105.09 4.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.7 t -144.52 154.92 43.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.075 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.477 ' HD2' ' NE2' ' A' ' 68' ' ' GLN . 19.8 ttpt -99.3 123.83 43.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.458 ' CD2' ' HE3' ' A' ' 91' ' ' MET . 15.4 mt -56.66 139.05 51.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.558 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 42.9 p90 -120.52 161.43 21.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.44 -46.1 73.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.176 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.558 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 72.5 mm-40 -83.19 32.45 0.44 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.462 ' HA ' ' CE2' ' A' ' 88' ' ' TRP . 1.5 tpp -72.68 135.73 45.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -102.56 118.5 36.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.7 tt -149.22 134.15 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.157 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -148.51 144.14 27.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 12.0 tptm -85.13 93.95 8.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.985 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.441 ' HB1' ' CD2' ' A' ' 102' ' ' HIS . . . -56.6 -48.93 76.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.8 t -146.5 -178.95 6.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.802 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -66.04 -39.9 90.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.837 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -110.7 32.57 5.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 39.8 p -156.88 139.66 15.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 3.6 mt -133.67 148.1 30.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.186 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.553 ' CD2' HD11 ' A' ' 117' ' ' LEU . 6.4 m-70 -118.17 103.31 9.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.4 pp -120.84 146.8 25.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.131 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 21.0 p -102.65 123.11 45.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -143.39 175.98 9.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.116 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 17.8 mtt -108.6 155.47 20.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.82 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -103.1 167.36 9.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.815 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.3 -36.67 13.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.16 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -82.24 -56.89 3.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -70.68 -34.93 72.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 62.88 46.12 5.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -142.67 152.74 24.09 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.448 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 92.6 t -75.78 96.53 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.966 0.412 . . . . 0.0 111.093 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.54 ' HG3' ' CE1' ' A' ' 116' ' ' PHE . 1.6 ptpm? -108.24 156.39 19.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 98.1 t -80.73 113.17 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.171 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.56 ' CE2' ' CG1' ' A' ' 38' ' ' VAL . 91.9 m-85 -98.96 137.88 36.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.96 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.553 HD11 ' CD2' ' A' ' 102' ' ' HIS . 3.3 tp -103.22 157.17 17.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.416 ' CG2' ' SG ' ' A' ' 34' ' ' CYS . 10.3 mt -137.5 106.82 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.8 t -103.73 115.57 30.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -143.99 174.36 10.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.076 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 74.0 m -53.86 151.15 6.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 96.5 p -41.04 -44.21 2.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.88 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -81.05 -59.88 2.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.923 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 127' ' ' GLN . 1.1 m-20 -38.96 -59.52 0.96 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 93.9 m -41.76 -37.36 1.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.137 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -76.45 -31.54 54.13 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.529 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 124' ' ' ASP . 15.1 mt-30 -59.3 -68.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.829 0.347 . . . . 0.0 110.939 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.484 ' CD1' ' N ' ' A' ' 129' ' ' TYR . 2.4 pp -57.06 -40.35 76.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.484 ' N ' ' CD1' ' A' ' 128' ' ' LEU . 16.7 t80 -59.43 -68.6 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 129' ' ' TYR . . . -37.88 -33.28 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.092 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.76 -46.95 42.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.1 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.463 HD11 ' CD2' ' A' ' 71' ' ' LEU . 3.4 mm? -49.28 -71.33 0.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.458 ' C ' ' O ' ' A' ' 132' ' ' LEU . 7.7 t-160 -33.88 -70.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.486 ' HA ' ' CD1' ' A' ' 137' ' ' LEU . 42.0 t60 -40.32 -60.01 1.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.917 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 9.9 mmp_? -40.22 -34.38 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.829 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.469 HD11 ' N ' ' A' ' 136' ' ' ILE . 2.3 mm -79.92 -51.73 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.099 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.486 ' CD1' ' HA ' ' A' ' 134' ' ' HIS . 16.4 mt -42.12 -30.17 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -68.81 -39.63 79.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 136' ' ' ILE . 3.3 mt -75.42 -56.39 4.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.91 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.481 ' CG ' ' HA ' ' A' ' 137' ' ' LEU . 5.8 ptp180 -56.91 -12.69 2.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 41.6 t -87.07 -21.84 25.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 39.2 mtp85 -77.84 -45.02 25.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.412 ' CG2' ' N ' ' A' ' 144' ' ' GLU . 27.8 m -55.83 -52.13 52.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.067 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . 0.412 ' N ' ' CG2' ' A' ' 143' ' ' VAL . 3.4 pt-20 -118.95 159.9 22.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.9 t -147.84 112.86 5.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -100.3 -162.5 28.4 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 2.82 3.2 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.738 2.292 . . . . 0.0 112.281 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 7.4 p 62.26 43.06 8.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.838 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 6.9 t -42.85 -33.48 0.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.802 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.534 -179.879 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -171.46 131.5 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.341 . . . . 0.0 110.813 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.9 t -138.36 127.89 24.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.81 87.58 0.2 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t -129.14 125.0 36.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.881 0.372 . . . . 0.0 110.857 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -104.16 137.35 42.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.61 113.04 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.62 -40.09 7.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.153 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -174.94 148.56 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.065 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.37 157.79 9.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.858 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.7 tttp -150.28 116.66 5.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 21.9 p -160.27 162.4 33.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.3 mt -125.05 152.43 44.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 15' ' ' GLU . 11.2 mt -91.27 167.18 12.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 14' ' ' LEU . 34.0 mt-10 36.95 38.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.445 ' HG2' ' CG ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -97.38 159.04 15.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 20' ' ' ILE . 2.1 t -94.93 -44.51 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.445 ' CG ' ' HG2' ' A' ' 16' ' ' LYS . 0.7 OUTLIER -38.07 -37.65 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 m -78.95 -36.58 18.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.121 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.495 ' N ' ' O ' ' A' ' 17' ' ' VAL . 96.5 mt -57.77 158.68 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.076 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.47 ' N ' ' CG2' ' A' ' 20' ' ' ILE . 0.8 OUTLIER -40.17 128.97 2.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.122 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.84 73.6 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.482 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 21' ' ' THR . 9.8 mt-10 -56.78 -27.11 59.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 0.0 110.874 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -117.07 -22.05 8.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.86 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -94.49 42.38 1.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.093 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -133.57 151.16 51.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.853 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 m -126.48 153.06 45.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.871 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -116.38 90.09 3.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.4 t -51.01 -73.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.113 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 pp -142.6 144.37 32.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -126.58 132.78 51.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.6 133.64 9.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.82 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -60.0 133.65 56.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.0 t -151.43 178.52 9.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -126.13 145.67 50.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 22.4 tp -108.93 129.54 55.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -129.97 139.86 51.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.642 ' CG1' ' CE1' ' A' ' 116' ' ' PHE . 10.7 m -131.34 149.77 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.46 ' CD1' ' C ' ' A' ' 39' ' ' PHE . 5.6 t80 -91.12 122.42 33.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 42' ' ' THR . 23.5 t0 -114.1 102.68 10.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 40' ' ' ASP . 2.8 ptpp? -35.53 -31.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.486 ' N ' ' O ' ' A' ' 40' ' ' ASP . 37.2 m -57.51 -49.01 77.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 40' ' ' ASP . 28.4 t -93.03 -24.87 18.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 68.51 36.47 2.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 t -163.9 -179.9 6.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 73.0 m95 -73.12 133.09 44.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.46 HG12 ' N ' ' A' ' 48' ' ' GLU . 57.6 t -125.67 143.19 40.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.46 ' N ' HG12 ' A' ' 47' ' ' VAL . 2.2 mt-10 -67.68 110.99 3.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.495 ' CD ' ' O ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -95.98 1.2 52.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 135.89 116.71 1.61 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.53 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -106.29 150.56 25.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.36 . . . . 0.0 110.86 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.467 ' N ' ' HE2' ' A' ' 73' ' ' MET . . . 164.46 -121.0 0.98 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.519 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 43.7 tp -115.4 148.85 38.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.822 0.344 . . . . 0.0 110.945 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.6 tp -139.76 134.91 32.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.18 151.25 31.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.463 ' CD2' ' HD3' ' A' ' 135' ' ' ARG . 2.2 tp -89.94 109.1 20.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -92.49 149.02 21.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 59' ' ' MET . 0.9 OUTLIER -110.33 134.24 52.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.463 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 16.9 ptt? -135.43 148.24 49.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -82.72 135.71 34.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.087 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.446 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -72.46 150.66 43.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.83 -179.759 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.07 -56.5 2.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.146 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -80.87 -6.17 58.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -121.75 -25.07 5.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.446 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 61.39 6.76 8.54 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.512 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.9 t -93.59 174.66 7.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.816 0.341 . . . . 0.0 111.165 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.445 ' CD2' ' OD1' ' A' ' 58' ' ' ASP . 3.3 tm? -68.37 100.03 1.01 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -90.95 166.88 12.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.9 m -149.38 162.61 39.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -153.2 154.01 33.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.458 HD22 ' CD2' ' A' ' 132' ' ' LEU . 9.7 mt -96.87 114.0 25.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.936 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 73' ' ' MET . 2.2 t -112.71 148.99 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.166 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.47 ' C ' ' SD ' ' A' ' 73' ' ' MET . 0.0 OUTLIER -142.46 112.86 7.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.407 ' NH1' HD11 ' A' ' 79' ' ' LEU . 27.8 mtt-85 -100.68 136.42 40.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 26.0 p -78.71 169.62 17.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.132 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -86.0 141.49 29.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.45 -53.19 2.75 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.508 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 t -101.34 128.91 47.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.965 0.412 . . . . 0.0 110.83 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.407 HD11 ' NH1' ' A' ' 74' ' ' ARG . 4.1 mm? -81.4 41.36 0.61 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.937 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -88.92 142.83 27.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.467 HD13 ' N ' ' A' ' 82' ' ' ILE . 0.1 OUTLIER -97.81 138.22 35.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.467 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -128.37 -26.54 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.838 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.454 ' N ' HG12 ' A' ' 82' ' ' ILE . 5.7 tp -126.73 112.5 15.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.4 ' C ' ' OD1' ' A' ' 84' ' ' ASN . 34.9 t-20 -144.9 105.51 4.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.3 t -148.5 152.12 36.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.211 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.8 127.62 42.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.903 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.455 HD22 ' CD1' ' A' ' 71' ' ' LEU . 8.5 mt -58.28 136.82 57.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.579 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 48.3 p90 -120.63 155.46 33.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.441 ' CB ' ' HA ' ' A' ' 140' ' ' ARG . . . -47.87 -47.89 31.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.579 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 2.5 mp0 -82.03 29.04 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.509 ' HA ' ' CE2' ' A' ' 88' ' ' TRP . 1.4 tpp -69.04 133.78 48.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.899 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -98.36 109.53 22.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.946 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.8 tt -147.2 112.71 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.14 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -126.1 142.4 51.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.414 ' HD3' ' CD2' ' A' ' 129' ' ' TYR . 11.2 tptm -77.09 96.73 4.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.96 -29.76 65.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.1 t -169.51 162.89 10.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -68.4 -7.89 35.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.835 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -126.54 -5.69 6.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.956 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 59.9 p -138.36 139.36 38.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 3.8 mt -133.75 144.2 36.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.177 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.603 ' CD2' ' CD1' ' A' ' 117' ' ' LEU . 8.2 m170 -111.47 100.66 9.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.3 pp -116.43 144.69 23.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 44.4 p -99.74 126.73 45.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.187 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.554 ' HB1' ' CD2' ' A' ' 116' ' ' PHE . . . -137.21 160.07 40.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.095 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 24.8 mtt -89.41 156.22 18.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -89.62 156.95 18.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 80.6 p -78.28 -45.28 23.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.06 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -98.75 -45.41 6.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.74 -18.78 62.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.823 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 44.07 48.71 7.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -134.22 145.58 17.64 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 61.0 t -81.95 111.79 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.893 0.378 . . . . 0.0 111.136 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.503 ' HG3' ' CE2' ' A' ' 116' ' ' PHE . 1.9 ptpt -117.94 167.24 11.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.905 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 54.5 t -85.67 105.8 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.172 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.642 ' CE1' ' CG1' ' A' ' 38' ' ' VAL . 64.4 m-85 -96.22 145.19 25.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.603 ' CD1' ' CD2' ' A' ' 102' ' ' HIS . 3.5 tp -108.35 156.91 18.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.851 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 46.6 mt -131.83 96.48 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.061 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.2 t -95.91 106.22 18.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -142.36 172.52 12.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.121 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 122' ' ' SER . 34.8 t -63.34 142.41 58.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 121' ' ' SER . 11.0 p -35.88 -46.07 0.44 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.818 -179.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.21 -53.8 26.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -51.88 -53.02 45.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.882 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 79.2 m -42.91 -60.83 1.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -43.13 -49.55 6.46 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -57.32 -68.49 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.36 . . . . 0.0 110.904 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -44.35 -50.54 9.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.433 ' O ' ' N ' ' A' ' 131' ' ' ALA . 55.1 t80 -60.09 -71.68 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -40.38 -26.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.135 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 129' ' ' TYR . . . -75.31 -64.02 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.458 ' CD2' HD22 ' A' ' 71' ' ' LEU . 5.5 mp -51.93 -58.82 5.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 132' ' ' LEU . 22.3 t-80 -33.34 -64.84 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.852 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.595 ' CD2' ' NH2' ' A' ' 135' ' ' ARG . 3.1 t60 -49.7 -60.46 2.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.595 ' NH2' ' CD2' ' A' ' 134' ' ' HIS . 0.0 OUTLIER -35.97 -31.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.898 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.478 ' N ' ' O ' ' A' ' 134' ' ' HIS . 3.1 mm -77.78 -53.76 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.44 HD11 ' CE1' ' A' ' 133' ' ' HIS . 22.1 mt -44.0 -26.86 0.32 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -74.25 -42.21 60.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.097 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 3.7 mt -74.5 -58.92 2.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.491 ' O ' ' CG2' ' A' ' 143' ' ' VAL . 6.0 ptm180 -47.79 -19.77 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 2.9 m -83.08 -40.32 20.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.873 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 143' ' ' VAL . 6.8 mtm105 -56.14 -53.98 50.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 140' ' ' ARG . 8.3 m -33.98 -40.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -103.87 51.73 0.78 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 142' ' ' ARG . 31.2 m 57.78 37.9 27.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.854 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -61.2 -179.46 2.88 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.535 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.66 179.53 3.58 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.726 2.284 . . . . 0.0 112.413 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 58.0 p -166.96 122.22 1.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 97.3 p -169.38 147.29 3.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.444 179.942 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.3 p -144.19 173.72 11.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.834 0.35 . . . . 0.0 110.83 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.3 m -115.64 131.57 56.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.15 132.9 0.1 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.535 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t -167.16 143.46 4.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.933 0.397 . . . . 0.0 110.85 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.8 p -39.15 105.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.94 129.77 1.11 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.463 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 68.1 p -110.42 142.56 41.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.765 0.317 . . . . 0.0 111.163 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -113.05 109.57 19.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.2 40.62 1.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -118.53 129.64 55.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 25.8 p -162.85 132.2 4.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.7 mt -118.2 175.31 5.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.944 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.5 mp -86.28 174.27 9.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 45.6 39.61 5.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -88.99 158.54 17.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.477 ' O ' ' N ' ' A' ' 19' ' ' VAL . 2.0 t -90.81 -43.92 14.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 17' ' ' VAL . 16.4 pt-20 -34.74 -33.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.477 ' N ' ' O ' ' A' ' 17' ' ' VAL . 27.5 m -86.34 -45.84 16.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' A' ' 22' ' ' GLY . 78.9 mt -52.26 138.07 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.457 ' N ' HG23 ' A' ' 20' ' ' ILE . 23.9 m -40.57 -24.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 20' ' ' ILE . . . 91.01 43.05 4.84 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.506 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -49.89 -50.39 46.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.89 0.376 . . . . 0.0 110.918 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.485 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 13.5 pt-20 -125.88 -42.79 1.88 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.485 ' N ' ' HG3' ' A' ' 24' ' ' GLU . . . 43.19 36.42 1.0 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -156.28 154.76 31.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.0 m -134.45 97.41 3.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.458 ' ND2' ' HB2' ' A' ' 55' ' ' ARG . 17.5 t-20 -75.63 128.91 36.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.0 m -103.6 -34.38 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 pp -151.81 137.65 18.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.403 ' CD ' HD21 ' A' ' 53' ' ' LEU . 14.2 tt0 -138.29 123.59 19.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.435 ' HE1' ' CB ' ' A' ' 120' ' ' ALA . 0.0 OUTLIER -147.17 141.44 26.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -63.31 129.37 39.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.939 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.445 ' SG ' ' CB ' ' A' ' 120' ' ' ALA . 1.5 t -149.8 174.33 12.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.575 ' HD2' ' CZ ' ' A' ' 37' ' ' PHE . 15.3 ttmt -116.76 151.83 35.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.0 tp -123.9 135.2 53.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.575 ' CZ ' ' HD2' ' A' ' 35' ' ' LYS . 73.7 m-85 -124.04 146.82 48.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.487 ' CG1' ' O ' ' A' ' 38' ' ' VAL . 5.5 p -128.51 117.11 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.527 ' CZ ' ' HA ' ' A' ' 44' ' ' GLN . 1.7 t80 -79.46 124.97 28.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 42' ' ' THR . 27.8 t0 -105.25 105.24 15.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.9 ptpp? -39.06 -29.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 40' ' ' ASP . 58.4 m -58.72 -48.68 80.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.203 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.8 t -90.81 -24.51 20.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.83 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.527 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 1.4 mm-40 65.84 37.02 5.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.9 t -153.32 171.73 18.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.44 ' CZ3' ' HB2' ' A' ' 117' ' ' LEU . 72.4 m95 -78.32 120.6 23.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.439 HG11 ' N ' ' A' ' 48' ' ' GLU . 69.3 t -121.3 142.59 36.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.439 ' N ' HG11 ' A' ' 47' ' ' VAL . 4.1 tp10 -60.46 147.99 39.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.821 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.404 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -132.42 -45.59 0.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.896 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -177.41 129.66 1.49 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.508 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.12 139.72 52.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.88 0.371 . . . . 0.0 110.935 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -178.61 -100.83 0.14 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.526 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.403 HD21 ' CD ' ' A' ' 31' ' ' GLN . 19.8 tp -138.94 121.21 15.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.837 0.351 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.9 tp -96.97 142.19 29.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.458 ' HB2' ' ND2' ' A' ' 28' ' ' ASN . 10.2 ptt85 -150.86 148.25 28.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.464 HD12 ' CD ' ' A' ' 135' ' ' ARG . 5.5 tp -106.36 112.83 26.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.944 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -98.75 142.75 29.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -107.01 129.96 54.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.506 ' O ' ' N ' ' A' ' 68' ' ' GLN . 20.9 ptt? -132.84 153.8 50.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.6 151.6 30.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.408 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.6 OUTLIER -88.58 154.64 20.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.823 -179.762 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.11 -51.6 3.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.143 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.86 -6.82 59.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.45 ' HB3' ' NE ' ' A' ' 142' ' ' ARG . 5.5 m-20 -122.53 -18.78 6.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.408 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 53.9 14.63 4.2 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.4 t -102.49 173.89 6.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.806 0.336 . . . . 0.0 111.141 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.421 HD12 ' C ' ' A' ' 67' ' ' LEU . 2.2 tm? -67.18 100.49 0.79 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.959 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.506 ' N ' ' O ' ' A' ' 59' ' ' MET . 5.4 mm-40 -88.5 168.92 12.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.7 m -147.41 167.34 24.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -160.94 162.75 32.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.951 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.405 ' C ' ' CG1' ' A' ' 72' ' ' VAL . 11.3 mt -95.35 157.07 16.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.938 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.457 ' CG2' ' HG2' ' A' ' 55' ' ' ARG . 0.9 OUTLIER -155.03 153.96 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 179.861 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.43 ' O ' ' CD1' ' A' ' 82' ' ' ILE . 8.1 tpt -155.15 107.29 2.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.872 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 58.7 mtm180 -100.31 125.02 46.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.1 p -69.71 145.59 52.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.089 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 77' ' ' GLY . 9.0 pt20 -69.25 -36.83 77.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.961 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 76' ' ' GLN . . . -37.67 -74.67 0.1 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.465 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 79' ' ' LEU . 7.0 t -132.44 48.49 2.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.864 0.364 . . . . 0.0 110.847 -179.729 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 78' ' ' SER . 4.2 mm? 35.14 47.5 0.29 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -94.95 157.65 15.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.453 HD13 ' N ' ' A' ' 82' ' ' ILE . 0.3 OUTLIER -102.02 141.37 34.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.482 HG12 ' N ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -134.88 -30.14 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.779 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.482 ' N ' HG12 ' A' ' 82' ' ' ILE . 7.6 tp -120.04 125.69 48.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -158.42 105.07 1.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 6.9 t -140.9 154.99 46.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.466 ' HG3' ' CE ' ' A' ' 59' ' ' MET . 33.8 ttmt -98.35 124.12 42.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.473 ' CD2' ' HE2' ' A' ' 91' ' ' MET . 8.9 mt -57.0 143.02 39.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.577 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 48.2 p90 -125.81 157.05 38.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.24 -46.59 54.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.577 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 38.8 mm-40 -82.51 31.42 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.864 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.473 ' HE2' ' CD2' ' A' ' 87' ' ' LEU . 1.0 OUTLIER -69.6 141.18 53.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.827 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -110.0 125.45 52.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.1 tt -152.02 130.55 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -139.08 138.43 37.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.1 tptm -88.43 98.2 11.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.65 -42.15 87.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.1 t -152.66 175.91 12.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -77.89 1.41 20.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -126.45 -25.91 3.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 85.5 p -112.94 151.62 30.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 9.2 mt -140.51 136.69 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.077 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.565 ' CD2' HD13 ' A' ' 117' ' ' LEU . 11.5 m170 -110.1 117.97 35.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.2 pt -136.55 153.51 30.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.09 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 14.8 p -102.8 119.62 39.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -138.2 161.29 37.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 24.5 mtt -86.24 179.22 6.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.489 ' OD1' ' CD ' ' A' ' 114' ' ' LYS . 0.8 OUTLIER -117.7 166.83 11.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 72.3 p -91.86 -41.71 10.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -101.26 -45.23 5.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -64.17 -35.97 82.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.826 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 63.11 41.19 8.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.998 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -135.29 148.99 19.82 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.539 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 50.7 t -83.25 94.07 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.93 0.395 . . . . 0.0 111.136 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.562 ' HG3' ' CE1' ' A' ' 116' ' ' PHE . 1.4 ptpm? -110.74 154.18 24.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.3 p -93.25 118.39 38.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.562 ' CE1' ' HG3' ' A' ' 114' ' ' LYS . 82.9 m-85 -98.2 177.8 5.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.565 HD13 ' CD2' ' A' ' 102' ' ' HIS . 3.9 tp -123.83 157.17 34.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.964 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.462 HG21 ' CD2' ' A' ' 128' ' ' LEU . 4.9 mt -134.25 98.17 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 23.1 t -98.14 123.66 42.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.445 ' CB ' ' SG ' ' A' ' 34' ' ' CYS . . . -157.61 177.76 11.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.152 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 48.1 m -63.78 147.07 52.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.914 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 52.3 p -40.54 -46.47 2.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 46.2 tptt -67.45 -68.97 0.34 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -42.94 -66.84 0.33 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.845 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.406 ' OG1' ' CB ' ' A' ' 120' ' ' ALA . 97.7 m -40.05 -41.36 1.22 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.215 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -61.25 -43.46 99.35 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.458 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -54.81 -57.92 9.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.836 0.351 . . . . 0.0 110.923 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.472 ' CD1' HD13 ' A' ' 132' ' ' LEU . 30.9 tp -49.71 -67.66 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -39.61 -67.28 0.23 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -38.26 -35.51 0.17 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.03 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.09 -47.12 25.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.472 HD13 ' CD1' ' A' ' 128' ' ' LEU . 10.6 mp -44.65 -69.13 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.469 ' C ' ' O ' ' A' ' 132' ' ' LEU . 8.0 t-160 -32.97 -60.91 0.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.818 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.428 ' O ' ' C ' ' A' ' 135' ' ' ARG . 29.5 t60 -44.89 -63.66 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.471 ' NE ' HD11 ' A' ' 87' ' ' LEU . 50.6 mtm180 -36.11 -40.91 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.922 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' A' ' 139' ' ' LEU . 1.8 mm -72.28 -54.82 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.207 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 136' ' ' ILE . 70.9 mt -36.16 -45.1 0.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -57.99 -42.64 85.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 136' ' ' ILE . 1.7 mt -72.44 -51.51 19.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 140' ' ' ARG . 1.1 mtp-105 -60.6 -32.11 71.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 23.2 t -62.53 -20.86 65.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . 0.45 ' NE ' ' HB3' ' A' ' 64' ' ' ASP . 8.1 mtp-105 -77.16 -40.7 44.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.456 HG22 ' N ' ' A' ' 144' ' ' GLU . 16.5 m -81.66 -39.5 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.174 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . 0.456 ' N ' HG22 ' A' ' 143' ' ' VAL . 42.1 mt-10 -144.93 113.66 6.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 74.8 m -100.4 92.55 5.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -97.58 -168.0 32.49 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 148' ' ' SER . 54.5 Cg_endo -69.79 -1.91 9.29 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.618 2.212 . . . . 0.0 112.363 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 147' ' ' PRO . 16.8 m -34.47 132.61 0.28 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 41.1 t -73.9 130.5 40.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.834 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.528 179.921 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -110.53 112.04 23.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.8 0.333 . . . . 0.0 110.852 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.2 p -108.85 111.85 23.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.902 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.09 -51.68 0.2 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.529 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 p -56.78 150.47 16.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.878 0.371 . . . . 0.0 110.903 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.5 t -114.87 154.66 28.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.847 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.79 -143.71 15.21 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.444 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.5 t -174.51 156.88 2.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.753 0.311 . . . . 0.0 111.086 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.56 -175.58 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.41 ' N ' ' HD3' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -135.04 112.49 10.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.12 162.25 28.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 33.1 m -45.81 115.71 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.426 ' C ' HD12 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -103.53 174.72 5.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 16' ' ' LYS . 1.2 tp -83.8 -56.89 3.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -62.39 75.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -131.58 151.12 51.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.927 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.456 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 17.0 m -66.18 -34.95 73.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.154 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -46.39 -36.51 6.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.799 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.464 HG21 ' N ' ' A' ' 20' ' ' ILE . 23.7 m -87.62 -32.47 6.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.123 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.464 ' N ' HG21 ' A' ' 19' ' ' VAL . 42.2 mt -64.72 144.23 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.422 ' N ' HG23 ' A' ' 20' ' ' ILE . 3.0 m -60.42 152.13 26.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.116 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -48.33 -31.17 8.64 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.481 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 41.53 30.9 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.765 0.317 . . . . 0.0 110.867 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -90.86 -27.36 18.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -93.94 41.69 1.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.106 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -77.8 176.61 8.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.1 m -98.04 144.78 27.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -138.53 154.79 48.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.945 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.42 HG23 ' N ' ' A' ' 30' ' ' LEU . 2.9 m -120.93 -39.65 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.42 ' N ' HG23 ' A' ' 29' ' ' VAL . 3.4 pp -152.75 131.56 12.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.42 ' CG ' HD13 ' A' ' 53' ' ' LEU . 22.0 tt0 -128.36 139.32 52.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.427 ' CE ' HD21 ' A' ' 128' ' ' LEU . 1.0 OUTLIER -161.32 149.26 15.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.855 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -77.69 118.86 20.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.498 ' SG ' ' CB ' ' A' ' 120' ' ' ALA . 1.8 t -139.65 174.91 10.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 27.5 mtpt -113.87 153.44 29.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.6 tp -123.13 117.89 26.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -112.55 123.58 50.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.0 p -105.37 129.13 58.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.534 ' CZ ' ' HA ' ' A' ' 44' ' ' GLN . 18.5 t80 -79.37 111.3 15.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 42' ' ' THR . 31.6 t0 -95.78 106.42 18.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.6 tttt -41.9 -23.93 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 40' ' ' ASP . 36.5 m -61.76 -47.05 86.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.111 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.4 t -96.37 -23.55 16.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.534 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 1.7 mm-40 69.67 31.39 3.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.982 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.3 t -153.21 -177.22 6.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.527 ' CH2' ' HB2' ' A' ' 117' ' ' LEU . 78.2 m95 -75.67 123.48 25.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 56.5 t -118.94 125.21 74.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.131 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -49.66 108.37 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.66 -32.9 13.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 163.64 132.73 1.38 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.541 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 29.8 ptt180 -121.31 137.01 54.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.864 0.364 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.465 ' N ' ' HE3' ' A' ' 73' ' ' MET . . . -176.28 -122.95 0.74 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.42 HD13 ' CG ' ' A' ' 31' ' ' GLN . 33.0 tp -114.5 126.51 55.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.827 0.346 . . . . 0.0 110.925 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.0 tp -112.12 134.94 53.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.966 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.7 ptt-85 -151.27 150.26 30.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.444 ' CD2' ' HD3' ' A' ' 135' ' ' ARG . 5.4 tp -97.89 108.05 20.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.2 p-10 -92.22 145.72 24.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -101.51 138.0 39.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.832 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.516 ' O ' ' N ' ' A' ' 68' ' ' GLN . 24.2 ptt? -151.4 142.78 23.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.24 166.9 20.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.075 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.51 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 1.1 t -87.67 166.73 14.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.815 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.3 t -99.93 -45.59 5.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.129 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -95.18 -11.31 28.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 66' ' ' THR . 25.3 t0 -123.23 -8.19 8.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.51 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 44.03 20.22 0.15 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.502 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 61' ' ' SER . 0.7 OUTLIER -94.12 174.95 6.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 111.088 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -65.74 99.2 0.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' A' ' 59' ' ' MET . 5.9 mm100 -99.54 171.31 8.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 72.9 m -148.45 158.97 44.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.441 ' HB3' ' CE ' ' A' ' 59' ' ' MET . 1.8 ptp180 -146.6 155.97 42.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.476 ' CD1' HD22 ' A' ' 87' ' ' LEU . 12.0 mt -96.21 114.61 26.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 73' ' ' MET . 2.1 t -114.46 147.66 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.465 ' HE3' ' N ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -145.28 115.15 7.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 29.4 mtt180 -105.17 131.23 52.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.4 p -73.07 160.61 31.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.68 30.33 1.37 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.936 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -108.36 -78.02 1.05 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.558 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 39.7 p -128.51 37.76 4.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.861 0.363 . . . . 0.0 110.838 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.8 mt 53.38 42.91 31.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -93.29 140.67 29.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 82' ' ' ILE . 0.1 OUTLIER -90.59 132.43 35.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.411 ' N ' HD12 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -121.65 -24.13 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.061 179.878 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.2 tp -129.18 107.02 9.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.987 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -135.06 98.65 4.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.6 t -139.38 152.96 47.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.463 ' HD3' ' NE2' ' A' ' 68' ' ' GLN . 19.1 ttmt -100.42 123.02 44.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.939 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.476 HD22 ' CD1' ' A' ' 71' ' ' LEU . 8.2 mt -56.36 149.53 16.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.573 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 48.1 p90 -134.9 153.7 51.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -45.34 -48.96 13.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.074 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.573 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 3.4 mp0 -82.22 29.65 0.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.959 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.525 ' HA ' ' CE2' ' A' ' 88' ' ' TRP . 3.2 tpp -70.69 135.08 48.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -95.4 115.84 27.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.0 tt -150.95 116.39 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.088 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -145.91 117.45 8.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.783 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.559 ' CD ' ' CD2' ' A' ' 129' ' ' TYR . 3.9 tttm -58.34 143.44 44.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.823 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -118.6 -18.24 9.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.151 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 6.9 t -162.18 150.8 15.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.421 ' CD ' ' HB2' ' A' ' 122' ' ' SER . 3.2 tt0 -55.26 -18.32 6.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -124.88 26.84 6.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.86 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.412 ' C ' HG13 ' A' ' 101' ' ' ILE . 0.8 OUTLIER -159.89 152.52 21.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.412 HG13 ' C ' ' A' ' 100' ' ' SER . 7.0 mt -144.08 151.05 16.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.136 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.545 ' CD2' ' CD1' ' A' ' 117' ' ' LEU . 8.0 m170 -115.49 101.47 8.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.1 pp -123.66 148.06 27.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 64.8 p -102.95 131.15 50.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.165 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -138.37 168.74 19.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.13 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 28.4 mtt -97.69 144.58 27.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -77.12 158.87 30.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 80.7 p -79.83 -44.28 20.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -97.07 -47.63 5.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -67.13 -18.48 65.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 46.87 32.09 1.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -121.72 159.51 16.29 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.426 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 21.6 t -89.31 137.09 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.92 0.391 . . . . 0.0 111.17 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -143.91 174.43 10.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 41.9 t -93.75 104.93 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -96.84 150.95 20.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.545 ' CD1' ' CD2' ' A' ' 102' ' ' HIS . 4.9 tp -117.95 154.79 31.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 6.5 mt -133.42 101.7 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.6 t -90.52 102.46 15.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.822 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.498 ' CB ' ' SG ' ' A' ' 34' ' ' CYS . . . -131.9 160.33 36.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.118 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.9 m -48.91 158.89 0.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.421 ' HB2' ' CD ' ' A' ' 98' ' ' GLU . 34.3 p -46.12 -39.79 9.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -83.63 -59.49 2.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.421 ' OD1' ' CB ' ' A' ' 32' ' ' MET . 2.6 m-20 -39.71 -45.63 1.74 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 90.8 m -57.52 -53.8 54.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -58.98 -26.92 61.51 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.478 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -67.46 -67.56 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.825 0.345 . . . . 0.0 110.944 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.544 ' C ' ' CD1' ' A' ' 128' ' ' LEU . 0.4 OUTLIER -59.54 -44.48 93.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.559 ' CD2' ' CD ' ' A' ' 95' ' ' LYS . 11.1 t80 -55.23 -46.8 75.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.72 -28.73 69.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.118 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -74.5 -65.63 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.087 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.477 ' O ' ' CD1' ' A' ' 136' ' ' ILE . 5.6 mp -38.41 -66.0 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.452 ' C ' ' O ' ' A' ' 132' ' ' LEU . 7.0 t-80 -33.95 -58.4 0.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.506 ' CD2' HH21 ' A' ' 135' ' ' ARG . 2.7 t60 -52.68 -54.98 25.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.506 HH21 ' CD2' ' A' ' 134' ' ' HIS . 0.0 OUTLIER -42.64 -22.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 -179.89 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.477 ' CD1' ' O ' ' A' ' 132' ' ' LEU . 3.7 mp -95.26 -49.4 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.447 ' HA ' ' CG ' ' A' ' 140' ' ' ARG . 25.7 mt -47.4 -29.32 2.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -73.7 -39.78 64.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.026 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.3 mt -73.44 -54.4 8.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.873 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.447 ' CG ' ' HA ' ' A' ' 137' ' ' LEU . 5.3 ptm180 -54.54 -17.95 3.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.1 m -77.84 -31.48 51.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 16.5 mtt-85 -76.66 -56.76 4.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 30.5 m -50.9 -47.72 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.062 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -147.09 107.53 4.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 68.2 m -61.18 98.15 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.852 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -93.9 176.9 36.61 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.489 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -45.9 1.42 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.636 2.224 . . . . 0.0 112.326 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 16.6 m -46.99 115.45 1.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.805 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 51.4 m -145.37 139.17 26.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.429 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 t -88.19 109.36 19.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.863 0.363 . . . . 0.0 110.85 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.6 m -108.52 84.97 2.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.2 -145.54 16.8 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.48 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -46.23 130.4 10.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.358 . . . . 0.0 110.881 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.9 p -160.37 146.37 15.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.62 122.13 5.57 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.444 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.1 t -82.05 151.12 27.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.69 0.281 . . . . 0.0 111.245 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -124.29 91.42 3.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.084 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.19 159.24 20.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.6 mttt 58.05 44.6 19.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.8 p -146.73 133.55 20.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.9 mp -62.23 152.89 32.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.956 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.67 -59.43 2.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.954 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -69.95 70.81 0.36 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -124.97 149.34 47.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.901 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.406 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 3.9 m -69.48 -30.6 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -48.06 -37.28 14.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.2 m -88.77 -27.46 5.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.134 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.465 ' CG2' ' N ' ' A' ' 21' ' ' THR . 83.2 mt -68.44 158.61 5.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.18 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.465 ' N ' ' CG2' ' A' ' 20' ' ' ILE . 0.8 OUTLIER -43.45 160.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -79.47 52.47 4.12 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.547 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -43.33 -45.26 5.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.826 0.346 . . . . 0.0 110.911 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -90.08 -30.2 17.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.877 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.54 35.56 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.046 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -80.35 161.39 25.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.7 t -124.75 146.24 49.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -116.25 114.77 24.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.481 HG13 ' CD2' ' A' ' 56' ' ' LEU . 3.9 p -91.0 -38.1 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.126 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.419 HD11 ' C ' ' A' ' 30' ' ' LEU . 1.3 pp -160.75 132.94 6.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.522 ' CD ' ' CD1' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -134.2 148.57 50.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.41 ' HE3' ' CD2' ' A' ' 128' ' ' LEU . 1.7 ptm -166.76 145.94 5.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -69.28 123.88 22.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.431 ' SG ' ' CG2' ' A' ' 118' ' ' ILE . 2.3 t -142.64 173.67 11.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -115.01 159.05 21.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.416 HD21 ' CG ' ' A' ' 49' ' ' ARG . 14.2 tp -128.43 128.96 45.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -125.9 124.25 40.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.439 ' CG2' ' HD3' ' A' ' 114' ' ' LYS . 7.3 p -109.25 139.45 32.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.161 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -89.48 137.95 31.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 42' ' ' THR . 5.5 t70 -127.03 102.11 6.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.808 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 40' ' ' ASP . 1.1 ttmm -38.07 -27.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 40' ' ' ASP . 31.9 m -61.3 -47.68 84.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.0 t -94.65 -23.35 17.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 66.4 36.83 4.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.0 t -152.6 179.05 8.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 74.5 m95 -82.17 98.33 8.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 38' ' ' VAL . 70.5 t -87.25 118.42 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -49.9 121.12 4.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.416 ' CG ' HD21 ' A' ' 36' ' ' LEU . 14.2 tpp180 -93.63 -45.26 7.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 166.73 119.29 0.47 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.471 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.8 145.06 34.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 0.0 110.883 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.529 ' N ' ' CE ' ' A' ' 73' ' ' MET . . . -179.39 -118.38 0.58 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.503 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.522 ' CD1' ' CD ' ' A' ' 31' ' ' GLN . 51.9 tp -114.2 115.9 28.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 0.0 110.903 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.4 tp -105.26 133.96 49.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.467 ' HB3' ' CG ' ' A' ' 31' ' ' GLN . 2.1 ptm180 -151.25 152.75 33.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.481 ' CD2' HG13 ' A' ' 29' ' ' VAL . 3.0 tp -95.68 112.82 24.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -95.65 129.55 42.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.26 107.01 19.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.492 ' O ' ' N ' ' A' ' 68' ' ' GLN . 20.7 ptt? -110.11 156.01 21.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -81.43 157.14 25.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.088 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.419 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 1.0 OUTLIER -91.01 152.57 20.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.888 -179.791 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.29 -47.65 5.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -88.02 -8.06 56.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.909 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -122.39 -18.92 6.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.419 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 57.12 10.47 5.18 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.495 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.2 t -99.6 174.63 6.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.754 0.311 . . . . 0.0 111.189 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -66.33 104.24 1.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.492 ' N ' ' O ' ' A' ' 59' ' ' MET . 5.4 mm-40 -95.71 167.16 11.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.1 m -131.27 163.42 27.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -152.23 158.45 42.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.4 mt -106.09 112.46 25.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.2 t -117.22 146.87 21.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.083 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.529 ' CE ' ' N ' ' A' ' 52' ' ' GLY . 10.6 tpt -153.15 108.95 3.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -103.09 132.32 49.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 21.1 p -72.26 149.92 44.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.62 -35.27 72.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.945 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -37.86 -91.38 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.469 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 79' ' ' LEU . 15.2 m -113.69 42.95 1.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 0.0 110.877 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 78' ' ' SER . 14.1 mt 36.96 50.22 0.86 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 41.7 ttt85 -101.09 148.27 25.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.498 ' CD1' ' N ' ' A' ' 82' ' ' ILE . 0.6 OUTLIER -91.79 141.03 29.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.498 ' N ' ' CD1' ' A' ' 81' ' ' LEU . 0.3 OUTLIER -134.96 -31.12 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.914 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.48 ' N ' HG12 ' A' ' 82' ' ' ILE . 8.8 tp -116.89 135.36 53.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.444 ' OD1' ' C ' ' A' ' 84' ' ' ASN . 8.9 t-20 -169.29 105.1 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.467 HG21 ' CB ' ' A' ' 105' ' ' ALA . 4.3 t -146.94 144.15 29.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.184 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.427 ' CD ' ' O ' ' A' ' 87' ' ' LEU . 0.6 OUTLIER -86.4 128.47 34.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.479 HD13 ' CZ ' ' A' ' 135' ' ' ARG . 20.5 mt -57.68 148.28 25.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.581 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 47.7 p90 -131.8 152.41 50.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.446 ' C ' ' H ' ' A' ' 91' ' ' MET . . . -46.21 -49.17 17.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.103 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.581 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 16.6 mp0 -78.72 26.91 0.23 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.511 ' HA ' ' CE2' ' A' ' 88' ' ' TRP . 0.7 OUTLIER -66.55 140.59 57.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -110.76 124.78 52.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.407 ' CD1' ' HB3' ' A' ' 132' ' ' LEU . 1.4 tt -154.64 127.72 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.043 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -136.35 141.05 43.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 12.3 tptm -83.35 101.21 11.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.93 -50.54 64.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.5 t -146.64 -178.68 6.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -78.71 2.96 17.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.852 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.6 mttt -132.7 -33.13 1.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.9 m -105.83 152.55 23.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.421 ' CD1' HD11 ' A' ' 128' ' ' LEU . 43.2 mt -143.81 146.03 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.516 ' CD2' HD13 ' A' ' 117' ' ' LEU . 12.2 m170 -115.83 114.99 25.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.7 pp -130.52 149.38 33.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 13.7 p -96.82 121.48 38.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.467 ' CB ' HG21 ' A' ' 85' ' ' THR . . . -139.48 154.62 47.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 6.8 mtt -83.99 170.33 14.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -109.57 166.0 11.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 50.5 p -89.81 -39.56 13.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.084 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -100.09 -54.46 2.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 111' ' ' GLN . 4.6 t70 -64.86 -8.79 16.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.8 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 110' ' ' ASP . 16.1 mt-30 35.63 46.3 0.3 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -130.62 155.13 21.01 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.515 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 54.7 t -90.52 98.73 8.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.844 0.354 . . . . 0.0 111.153 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.556 ' HG3' ' CE1' ' A' ' 116' ' ' PHE . 9.4 ptpt -116.66 148.11 41.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.961 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 4.4 p -88.03 117.12 31.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.556 ' CE1' ' HG3' ' A' ' 114' ' ' LYS . 87.4 m-85 -96.45 177.52 5.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.516 HD13 ' CD2' ' A' ' 102' ' ' HIS . 3.7 tp -122.6 156.65 33.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.928 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.431 ' CG2' ' SG ' ' A' ' 34' ' ' CYS . 10.2 mt -134.76 102.22 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 45.4 t -99.58 113.48 25.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -143.47 172.65 12.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.058 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 122' ' ' SER . 3.4 m -60.68 147.28 42.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 121' ' ' SER . 13.3 p -33.8 -54.33 0.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.635 ' HZ3' ' NE2' ' A' ' 127' ' ' GLN . 9.2 tmtm? -65.47 -62.93 1.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -40.19 -60.93 0.96 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 83.9 m -44.99 -37.25 3.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.076 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -69.87 -36.87 74.56 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.635 ' NE2' ' HZ3' ' A' ' 123' ' ' LYS . 3.2 mm-40 -62.44 -60.7 3.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.851 0.358 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.468 HD13 ' N ' ' A' ' 129' ' ' TYR . 1.4 pp -54.36 -42.02 69.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.922 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.523 ' CZ ' ' HB2' ' A' ' 95' ' ' LYS . 25.0 t80 -61.08 -66.54 0.52 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -40.2 -33.66 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.129 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -75.66 -54.05 7.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.121 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.465 ' CD1' ' O ' ' A' ' 128' ' ' LEU . 9.0 mp -39.7 -68.97 0.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.437 ' C ' ' O ' ' A' ' 132' ' ' LEU . 10.0 t-160 -35.69 -66.12 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 135' ' ' ARG . 16.2 t60 -38.5 -63.54 0.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.479 ' CZ ' HD13 ' A' ' 87' ' ' LEU . 50.8 mtm180 -36.94 -44.75 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.467 ' N ' HD13 ' A' ' 136' ' ' ILE . 2.8 mm -62.77 -51.23 74.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.425 ' HA ' ' CG ' ' A' ' 140' ' ' ARG . 20.1 mt -47.69 -39.36 17.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.951 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.63 -27.89 69.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.038 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.43 HD12 ' C ' ' A' ' 88' ' ' TRP . 5.1 mt -82.59 -55.57 4.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.848 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 140' ' ' ARG . 0.0 OUTLIER -60.37 -15.3 24.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.847 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 42.3 t -82.23 -18.03 43.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 4.2 mtm105 -82.08 -52.35 7.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 15.6 m -55.25 -46.5 78.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -79.55 -11.74 59.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 23.2 t -44.99 -44.8 10.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -64.84 154.0 49.59 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.555 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 148' ' ' SER . 53.5 Cg_endo -69.76 1.79 4.11 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.644 2.229 . . . . 0.0 112.358 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 147' ' ' PRO . 22.7 t -34.84 108.63 0.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 17.4 t -165.95 150.12 8.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.798 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.465 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.451 -0.259 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t -56.36 135.7 53.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.899 0.38 . . . . 0.0 110.824 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.1 m -122.64 -46.18 2.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -54.48 113.45 3.44 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.481 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.4 m -100.62 130.83 46.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.852 0.358 . . . . 0.0 110.888 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 t -140.05 162.83 34.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.23 60.62 0.42 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.489 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.1 p -60.11 -53.05 62.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.35 . . . . 0.0 111.114 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -172.48 156.98 3.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.109 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.57 156.97 34.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt -112.23 163.99 13.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.5 m -65.2 80.97 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.5 mt -93.15 156.21 16.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.933 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.1 mp -96.46 -33.67 11.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -82.16 41.6 0.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.466 ' O ' ' CG2' ' A' ' 19' ' ' VAL . 0.2 OUTLIER -90.92 148.58 22.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.3 m -73.1 -30.6 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.172 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -50.63 -32.43 18.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.466 ' CG2' ' O ' ' A' ' 16' ' ' LYS . 4.7 m -88.2 -37.68 10.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.496 HG21 ' N ' ' A' ' 21' ' ' THR . 82.1 mt -47.45 143.02 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.211 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.496 ' N ' HG21 ' A' ' 20' ' ' ILE . 1.4 m -92.87 176.59 6.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.185 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 23' ' ' GLU . . . 75.25 -42.34 1.4 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 22' ' ' GLY . 10.2 mt-10 -35.29 -50.09 0.53 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.806 0.336 . . . . 0.0 110.883 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -107.11 -26.07 11.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.94 43.0 0.82 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.071 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -124.25 156.78 36.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.432 ' CB ' ' OD1' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -99.35 155.85 17.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.839 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -114.56 84.63 2.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.2 t -45.41 -62.5 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.177 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 pp -153.5 138.53 17.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.962 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.461 ' CG ' HD13 ' A' ' 53' ' ' LEU . 46.9 tt0 -123.3 123.26 40.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.461 ' HE3' ' CB ' ' A' ' 120' ' ' ALA . 0.1 OUTLIER -156.2 128.39 7.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -55.37 135.6 50.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.6 t -151.21 174.02 13.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -114.49 121.42 43.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.7 tp -103.5 115.59 30.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -110.43 163.38 13.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.578 HG23 ' CE2' ' A' ' 116' ' ' PHE . 3.8 t -124.85 151.18 30.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.514 ' HB2' ' CZ3' ' A' ' 46' ' ' TRP . 66.7 t80 -117.05 134.99 54.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 42' ' ' THR . 53.4 t0 -121.91 95.08 4.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 40' ' ' ASP . 4.6 ptpt -33.72 -34.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 40' ' ' ASP . 58.7 m -56.68 -50.09 73.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.21 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 40' ' ' ASP . 5.1 t -87.69 -27.98 22.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.406 ' NE2' ' O ' ' A' ' 41' ' ' LYS . 1.5 mm-40 67.05 35.65 4.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.978 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 t -146.47 177.75 8.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.514 ' CZ3' ' HB2' ' A' ' 39' ' ' PHE . 71.6 m95 -93.83 111.62 23.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.846 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 84.9 t -102.78 126.0 57.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.187 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -52.91 127.71 24.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -112.6 -49.27 2.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 174.09 122.91 0.7 Allowed Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.454 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.89 159.05 23.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.898 0.38 . . . . 0.0 110.895 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.437 ' N ' ' CE ' ' A' ' 73' ' ' MET . . . 164.35 -106.47 0.27 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.515 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.461 HD13 ' CG ' ' A' ' 31' ' ' GLN . 27.4 tp -120.56 137.75 54.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.864 0.364 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.0 tp -121.31 140.78 51.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.492 ' NH2' ' CG ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -151.5 159.4 44.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.0 tp -115.86 108.28 16.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -92.47 153.38 19.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.432 ' OD1' ' CB ' ' A' ' 27' ' ' SER . 0.6 OUTLIER -116.73 136.95 52.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.88 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.513 ' O ' ' N ' ' A' ' 68' ' ' GLN . 22.2 ptt? -150.14 147.83 28.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.08 170.75 12.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 66' ' ' THR . 0.9 OUTLIER -92.77 165.84 12.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.851 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.405 HG23 ' N ' ' A' ' 63' ' ' ASP . 3.6 t -100.22 -47.75 4.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.174 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.405 ' N ' HG23 ' A' ' 62' ' ' THR . 2.5 m-20 -91.69 -17.32 25.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 66' ' ' THR . 10.9 t0 -116.91 -6.6 11.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.833 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.496 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 42.7 20.87 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.489 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.509 ' O ' ' N ' ' A' ' 61' ' ' SER . 0.8 OUTLIER -97.14 174.86 6.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.771 0.32 . . . . 0.0 111.184 -179.882 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.411 ' CD1' ' C ' ' A' ' 67' ' ' LEU . 2.5 tm? -64.74 99.83 0.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.513 ' N ' ' O ' ' A' ' 59' ' ' MET . 4.7 mm100 -96.82 172.01 8.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.959 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.453 ' HB2' ' CD1' ' A' ' 87' ' ' LEU . 8.7 m -145.53 167.09 23.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.809 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -154.97 150.74 27.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.942 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.2 mt -92.66 147.22 23.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.486 ' CG2' ' HG2' ' A' ' 55' ' ' ARG . 0.9 OUTLIER -146.63 152.35 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.192 179.847 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.437 ' CE ' ' N ' ' A' ' 52' ' ' GLY . 10.8 tpt -154.55 113.31 3.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.91 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.492 ' CG ' ' NH2' ' A' ' 55' ' ' ARG . 21.1 mtp180 -97.02 143.09 28.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.808 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.5 p -88.49 145.36 25.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.201 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -74.83 116.8 15.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 144.56 -72.06 0.36 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 79' ' ' LEU . 7.4 t -124.83 34.77 4.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.859 0.362 . . . . 0.0 110.81 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 78' ' ' SER . 80.9 mt 37.28 47.81 0.73 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -87.3 134.79 33.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.463 HD12 ' N ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -92.23 140.73 29.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.49 HG12 ' N ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -132.07 -28.67 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.853 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.49 ' N ' HG12 ' A' ' 82' ' ' ILE . 7.4 tp -118.68 119.76 35.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -150.9 105.0 3.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.0 t -141.4 149.69 41.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.457 ' HD3' ' NE2' ' A' ' 68' ' ' GLN . 9.1 ttmm -92.47 119.67 32.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.453 ' CD1' ' HB2' ' A' ' 69' ' ' SER . 25.5 mt -56.91 146.43 26.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.567 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 44.7 p90 -127.55 160.95 29.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.972 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.41 -44.99 69.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.127 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.567 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 71.4 mm-40 -84.63 32.11 0.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.464 ' HA ' ' NE1' ' A' ' 88' ' ' TRP . 1.5 tpp -67.41 139.19 57.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -105.98 117.68 34.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.8 tt -149.31 121.02 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.62 150.36 40.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.844 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 16.7 tptp -99.43 98.17 9.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.26 -43.27 82.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.078 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.4 t -167.83 174.81 7.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -77.09 8.26 4.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.949 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -121.58 -39.3 2.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.969 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.405 ' C ' HG13 ' A' ' 101' ' ' ILE . 73.7 p -119.51 154.72 33.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.469 ' CD1' HG22 ' A' ' 125' ' ' THR . 50.8 mt -145.75 144.9 20.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.551 ' NE2' ' CD1' ' A' ' 117' ' ' LEU . 9.4 m170 -114.33 132.66 56.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.5 pp -144.32 147.31 19.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.0 p -97.38 123.35 41.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -142.07 159.4 42.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.41 ' HE1' ' CG2' ' A' ' 113' ' ' VAL . 8.9 mtt -87.53 147.47 25.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -84.22 165.44 18.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.8 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 43.2 p -90.68 -41.47 11.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.075 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -100.43 -45.14 5.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.23 -25.61 68.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 54.73 40.71 32.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -133.81 158.82 23.47 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.474 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.41 ' CG2' ' HE1' ' A' ' 106' ' ' MET . 46.4 t -91.8 99.23 9.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.905 0.383 . . . . 0.0 111.125 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.556 ' HG3' ' CE1' ' A' ' 116' ' ' PHE . 3.2 ptpt -115.34 161.76 18.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 4.4 p -101.56 119.45 49.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.578 ' CE2' HG23 ' A' ' 38' ' ' VAL . 34.1 m-85 -96.94 177.76 5.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.551 ' CD1' ' NE2' ' A' ' 102' ' ' HIS . 4.5 tp -125.9 144.42 50.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.441 HG21 ' CD2' ' A' ' 128' ' ' LEU . 19.4 mt -124.52 105.81 15.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.6 t -106.19 126.69 52.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.831 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.461 ' CB ' ' HE3' ' A' ' 32' ' ' MET . . . -153.61 178.99 9.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.129 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 122' ' ' SER . 24.2 t -56.41 143.88 33.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.854 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 121' ' ' SER . 3.2 p -36.36 -41.36 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -82.28 -61.75 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.939 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -38.04 -39.07 0.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.469 HG22 ' CD1' ' A' ' 101' ' ' ILE . 36.1 m -58.58 -66.66 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -38.58 -34.65 0.27 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.492 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -65.93 -69.51 0.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.859 0.361 . . . . 0.0 110.866 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.441 ' CD2' HG21 ' A' ' 118' ' ' ILE . 1.7 pp -45.8 -38.49 7.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 95' ' ' LYS . 38.2 t80 -64.93 -65.57 0.65 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -41.29 -38.27 1.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.49 -72.74 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.05 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 10.8 mp -39.4 -67.54 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -40.9 -66.74 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.812 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 55.2 t60 -43.77 -51.6 7.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -48.01 -32.72 6.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' A' ' 139' ' ' LEU . 3.6 mm -75.78 -53.89 14.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 43.0 mt -39.36 -37.92 0.49 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.98 -39.79 90.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 136' ' ' ILE . 2.6 mt -72.45 -47.64 47.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 12.4 mtp180 -59.63 -42.41 92.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.4 m -55.3 -26.03 37.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . 0.459 ' CZ ' ' HB ' ' A' ' 66' ' ' THR . 39.8 mtt-85 -69.51 -40.29 77.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.864 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.449 HG21 ' N ' ' A' ' 144' ' ' GLU . 17.2 m -82.63 -38.0 14.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.157 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . 0.449 ' N ' HG21 ' A' ' 143' ' ' VAL . 21.9 mm-40 -139.64 107.84 5.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 13.4 t -67.63 97.26 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -77.79 164.37 51.78 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.462 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -2.53 10.33 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.64 2.226 . . . . 0.0 112.343 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 83.7 p -42.62 -44.98 4.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 82.1 p -69.2 133.02 47.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.454 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -169.5 143.45 2.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.897 0.379 . . . . 0.0 110.857 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.7 p -167.73 161.32 13.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.804 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.84 -169.56 13.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.5 p -157.75 163.12 38.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.893 0.377 . . . . 0.0 110.828 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 t -112.81 165.02 12.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.67 167.99 51.82 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.511 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.1 t -157.65 145.19 18.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.746 0.308 . . . . 0.0 111.185 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.25 146.64 28.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.139 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -59.09 -46.44 88.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.87 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 10' ' ' ARG . 25.6 pttm 35.72 41.22 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 56.6 m -105.79 144.75 32.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 tt -67.48 127.4 32.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.3 mp -49.97 -53.98 22.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.932 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -69.32 72.14 0.3 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.462 ' O ' ' CG2' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -123.02 145.01 48.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.7 m -62.78 -34.89 68.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -44.7 -37.37 3.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.829 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.462 ' CG2' ' O ' ' A' ' 16' ' ' LYS . 4.4 m -90.54 -40.5 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.426 HG22 ' N ' ' A' ' 21' ' ' THR . 52.2 mt -48.19 153.4 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 22' ' ' GLY . 31.9 m -62.36 163.82 8.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 21' ' ' THR . . . -34.91 -57.18 0.81 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.484 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' A' ' 25' ' ' ALA . 36.3 mt-10 46.64 49.86 13.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.803 0.335 . . . . 0.0 110.882 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 38.66 25.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' A' ' 23' ' ' GLU . . . -132.09 57.32 1.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -91.13 174.67 7.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.5 t -91.16 125.07 35.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.823 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -116.59 123.11 46.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.532 HG23 ' N ' ' A' ' 30' ' ' LEU . 16.7 m -93.51 -27.58 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.188 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.532 ' N ' HG23 ' A' ' 29' ' ' VAL . 2.5 pp -169.35 126.97 0.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.896 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.571 ' CD ' ' CD1' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -129.94 142.75 50.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.35 139.06 5.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -61.51 129.84 43.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.8 t -148.84 172.69 14.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.575 ' HD2' ' CZ ' ' A' ' 37' ' ' PHE . 17.2 ttmt -113.9 149.43 35.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.8 tp -118.98 125.3 49.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.575 ' CZ ' ' HD2' ' A' ' 35' ' ' LYS . 76.9 m-85 -112.96 141.91 46.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.952 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.435 ' CG1' ' O ' ' A' ' 38' ' ' VAL . 5.1 p -126.99 122.46 60.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.202 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.534 ' CE2' ' HA ' ' A' ' 41' ' ' LYS . 66.2 t80 -62.96 137.61 58.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 42' ' ' THR . 39.6 t0 -119.88 86.12 2.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.821 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.534 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -33.37 -33.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.92 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.508 ' N ' ' O ' ' A' ' 40' ' ' ASP . 23.2 m -60.72 -49.66 76.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.133 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 40' ' ' ASP . 42.4 t -94.44 -8.54 38.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.819 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 41' ' ' LYS . 1.5 mm-40 52.5 40.98 30.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.4 m -155.92 168.65 26.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -74.38 133.45 42.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.435 HG11 ' N ' ' A' ' 48' ' ' GLU . 40.5 t -127.25 140.79 48.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.079 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.435 ' N ' HG11 ' A' ' 47' ' ' VAL . 21.4 tt0 -60.85 114.76 3.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.812 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.408 ' NH1' ' HB ' ' A' ' 82' ' ' ILE . 0.5 OUTLIER -93.58 -45.01 7.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -177.13 129.01 1.39 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -117.33 138.45 51.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.845 0.355 . . . . 0.0 110.941 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.487 ' N ' ' HE3' ' A' ' 73' ' ' MET . . . 178.24 -126.73 1.1 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.488 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.571 ' CD1' ' CD ' ' A' ' 31' ' ' GLN . 55.9 tp -114.86 113.51 24.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.873 0.368 . . . . 0.0 110.956 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.414 ' CD2' HD23 ' A' ' 128' ' ' LEU . 3.4 tp -100.4 134.97 42.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.8 ptt180 -151.51 153.86 35.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.457 HD22 ' NE ' ' A' ' 135' ' ' ARG . 4.8 tp -98.84 111.2 23.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -93.26 139.1 31.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -100.67 124.47 46.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.82 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.499 ' O ' ' N ' ' A' ' 68' ' ' GLN . 24.8 ptt? -128.39 153.97 46.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.844 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -80.36 152.31 28.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.091 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.457 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.7 OUTLIER -87.86 153.37 21.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.818 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.61 -45.64 6.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.138 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -90.12 -10.71 43.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.463 ' HB3' ' NE ' ' A' ' 142' ' ' ARG . 37.4 m-20 -120.48 -16.71 8.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.457 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 54.64 12.32 3.37 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.405 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.2 t -100.76 174.63 5.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 0.0 111.155 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -67.36 100.76 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 59' ' ' MET . 6.1 mm-40 -88.69 169.23 11.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.1 m -135.82 160.9 37.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.6 ttm-85 -152.91 150.77 29.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.44 ' CD1' HD22 ' A' ' 87' ' ' LEU . 4.3 mt -96.77 114.7 26.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.1 t -115.75 147.22 19.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.487 ' HE3' ' N ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -148.43 109.81 4.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 27.8 mtp180 -105.9 129.3 54.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.0 p -72.58 144.35 47.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.457 ' O ' ' C ' ' A' ' 77' ' ' GLY . 1.9 pp0? -57.43 -44.99 85.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 76' ' ' GLN . . . -33.67 -84.32 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.523 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 86.1 p -130.6 46.04 2.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.941 0.4 . . . . 0.0 110.83 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.8 mp 41.41 38.5 0.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -76.85 110.04 11.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.817 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.75 130.4 44.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.423 HG12 ' N ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -126.32 -26.01 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.078 179.858 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.423 ' N ' HG12 ' A' ' 82' ' ' ILE . 9.4 tp -124.09 129.78 51.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -161.58 105.02 1.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.404 HG23 ' CB ' ' A' ' 105' ' ' ALA . 4.8 t -148.33 132.39 17.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.4 ' HG3' ' CE ' ' A' ' 59' ' ' MET . 20.2 ttmt -75.51 125.06 28.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.466 ' CD2' ' HE2' ' A' ' 91' ' ' MET . 16.4 mt -58.11 148.21 27.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.592 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 46.1 p90 -129.67 157.86 40.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.35 -44.21 65.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.071 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.592 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 50.1 mm-40 -84.06 32.54 0.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.469 ' HA ' ' NE1' ' A' ' 88' ' ' TRP . 1.9 tpp -72.41 145.46 47.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -108.72 116.59 32.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.435 HD13 ' CD2' ' A' ' 132' ' ' LEU . 1.1 tt -149.02 123.41 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.136 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -130.25 144.6 51.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 16.7 tptp -80.46 101.34 9.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.417 ' HB2' ' CD2' ' A' ' 102' ' ' HIS . . . -71.2 -44.0 66.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.174 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.1 m -167.07 -175.91 3.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 125' ' ' THR . 7.7 tt0 -72.11 -33.64 68.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -112.68 28.11 9.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.4 p -159.57 144.18 15.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 13.2 mt -141.87 153.52 19.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.15 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.553 ' CD2' ' CD1' ' A' ' 117' ' ' LEU . 8.8 m-70 -122.95 119.84 31.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.3 pp -139.49 147.91 23.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 16.1 p -97.81 125.68 42.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.404 ' CB ' HG23 ' A' ' 85' ' ' THR . . . -143.93 158.62 43.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.155 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 9.6 mtt -86.69 161.44 18.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -103.8 164.34 11.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.818 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 68.4 p -91.86 -34.61 14.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.182 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -100.77 -51.32 3.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.832 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -64.15 -25.83 68.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 53.76 43.67 30.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -139.16 151.18 21.67 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 51.7 t -81.24 97.59 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.895 0.379 . . . . 0.0 111.109 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.581 ' HG3' ' CZ ' ' A' ' 116' ' ' PHE . 0.5 OUTLIER -112.9 157.82 20.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 6.5 p -98.52 116.16 40.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.173 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.581 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 70.0 m-85 -95.8 177.57 5.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.553 ' CD1' ' CD2' ' A' ' 102' ' ' HIS . 3.3 tp -122.98 158.11 31.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.971 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.471 HG23 ' CD2' ' A' ' 128' ' ' LEU . 2.9 mt -134.92 103.15 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.172 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 13.3 t -102.29 120.23 40.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.4 ' HB1' ' CB ' ' A' ' 124' ' ' ASP . . . -151.89 172.48 16.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.061 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.468 ' O ' ' C ' ' A' ' 122' ' ' SER . 8.8 m -65.16 146.99 54.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.826 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.468 ' C ' ' O ' ' A' ' 121' ' ' SER . 30.4 p -33.27 -45.31 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.783 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 24.9 tptt -68.06 -61.71 1.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.4 ' CB ' ' HB1' ' A' ' 120' ' ' ALA . 44.4 m-20 -44.46 -59.87 2.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.479 ' CB ' ' O ' ' A' ' 98' ' ' GLU . 21.8 m -46.97 -64.21 0.84 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.158 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -39.52 -46.13 2.73 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -57.7 -66.02 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.329 . . . . 0.0 110.929 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.473 ' HG ' ' CD1' ' A' ' 132' ' ' LEU . 7.5 tp -45.35 -69.34 0.14 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.961 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 95' ' ' LYS . 41.6 t80 -41.19 -59.55 1.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.976 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -46.35 -38.07 8.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.126 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 132' ' ' LEU . . . -72.04 -60.15 2.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.473 ' CD1' ' HG ' ' A' ' 128' ' ' LEU . 3.4 mp -36.72 -69.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.963 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.454 ' C ' ' O ' ' A' ' 132' ' ' LEU . 11.2 t-160 -33.53 -55.52 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.414 ' CD2' ' C ' ' A' ' 134' ' ' HIS . 2.1 t60 -55.91 -44.87 78.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 132' ' ' LEU . 72.7 mtt180 -48.87 -37.85 20.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.47 ' N ' HD13 ' A' ' 136' ' ' ILE . 2.1 mm -73.88 -47.21 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.141 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.465 ' HA ' ' CG ' ' A' ' 140' ' ' ARG . 38.8 mt -44.12 -40.27 4.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.11 -32.49 74.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 136' ' ' ILE . 2.1 mt -83.26 -57.95 3.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.465 ' CG ' ' HA ' ' A' ' 137' ' ' LEU . 2.1 ptm180 -54.68 -25.21 25.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.5 m -68.89 -27.25 65.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . 0.463 ' NE ' ' HB3' ' A' ' 64' ' ' ASP . 13.6 mtp85 -71.82 -47.32 54.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 142' ' ' ARG . 71.7 t -35.83 -57.54 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.099 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -115.77 126.46 54.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 36.6 m -83.3 43.33 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.812 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -44.41 160.34 0.11 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.459 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -47.6 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.686 2.258 . . . . 0.0 112.34 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 48.0 t -78.12 100.36 6.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 15.1 m -138.82 137.91 37.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.49 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -151.64 137.76 18.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.882 0.372 . . . . 0.0 110.853 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.4 m -106.43 162.5 13.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.871 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.19 -164.64 39.74 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.4 p -164.67 136.93 4.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.911 0.386 . . . . 0.0 110.849 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.4 p -58.2 172.84 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.822 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.79 106.28 0.3 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.463 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.1 t -52.43 125.82 17.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.756 0.312 . . . . 0.0 111.207 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -109.74 163.96 13.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.046 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -108.29 172.71 6.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.7 mmtt -128.11 173.12 10.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.4 t -67.57 113.26 5.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 32.7 mt -127.95 151.31 49.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 tp -47.75 -55.8 8.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -66.85 72.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -92.84 157.8 16.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' A' ' 20' ' ' ILE . 1.9 t -89.07 -45.34 15.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 17' ' ' VAL . 10.0 pt-20 -34.5 -35.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.452 HG23 ' N ' ' A' ' 20' ' ' ILE . 24.3 m -82.33 -43.72 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.1 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.487 ' N ' ' O ' ' A' ' 17' ' ' VAL . 92.9 mt -47.24 142.34 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.051 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.423 ' C ' ' H ' ' A' ' 23' ' ' GLU . 7.1 m -82.42 -23.1 35.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.175 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.61 42.3 1.05 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.503 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.423 ' H ' ' C ' ' A' ' 21' ' ' THR . 2.4 pp20? -125.22 -22.0 4.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.893 0.378 . . . . 0.0 110.936 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -119.89 -18.04 8.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -102.67 42.14 1.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -79.42 166.23 22.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.5 m -88.87 149.15 23.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.79 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -117.17 116.82 28.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.484 HG13 ' N ' ' A' ' 30' ' ' LEU . 8.8 p -96.88 -30.72 3.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.104 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.484 ' N ' HG13 ' A' ' 29' ' ' VAL . 3.2 pp -166.92 133.01 2.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.424 ' CD ' HD23 ' A' ' 53' ' ' LEU . 35.7 tt0 -132.42 140.35 48.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.958 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.06 136.83 5.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -63.85 127.31 30.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.435 ' SG ' ' CG2' ' A' ' 118' ' ' ILE . 1.8 t -145.06 -179.24 6.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -126.69 156.32 41.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.518 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 10.8 tp -119.86 139.71 51.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.518 ' CD1' ' O ' ' A' ' 36' ' ' LEU . 12.9 m-85 -140.86 137.65 33.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.551 ' CG1' ' CE1' ' A' ' 116' ' ' PHE . 6.9 m -122.08 153.42 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -90.76 130.77 36.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 42' ' ' THR . 18.5 t0 -125.59 106.23 9.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -38.4 -26.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.978 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.495 ' N ' ' O ' ' A' ' 40' ' ' ASP . 29.4 m -60.63 -48.17 82.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.1 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.0 m -95.44 -23.13 17.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 67.13 33.1 5.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.4 m -162.2 -177.13 5.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 63.9 m95 -76.54 127.76 33.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.454 HG12 ' N ' ' A' ' 48' ' ' GLU . 90.6 t -118.1 152.87 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.454 ' N ' HG12 ' A' ' 47' ' ' VAL . 20.2 tt0 -71.6 114.95 10.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.449 ' CG ' HG22 ' A' ' 38' ' ' VAL . 0.4 OUTLIER -105.58 -43.48 4.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 -179.867 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -174.18 117.8 0.65 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.6 ptt85 -115.61 141.22 48.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 0.0 110.862 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.445 ' N ' ' CE ' ' A' ' 73' ' ' MET . . . 169.89 -126.98 1.41 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.516 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.424 HD23 ' CD ' ' A' ' 31' ' ' GLN . 47.5 tp -102.04 144.72 30.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.891 0.377 . . . . 0.0 110.924 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.451 ' CD2' HD21 ' A' ' 128' ' ' LEU . 4.1 tp -138.24 131.66 30.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.943 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.37 151.12 31.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.456 HD22 ' NE ' ' A' ' 135' ' ' ARG . 4.5 tp -90.82 112.4 24.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.41 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 5.1 p30 -92.19 135.38 34.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.471 ' OD1' ' C ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -93.6 141.81 28.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 24.9 ptt? -152.87 147.39 25.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.11 152.02 23.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.46 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.5 OUTLIER -82.39 156.19 24.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.752 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.95 -53.77 3.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.148 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -84.01 -11.61 56.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -117.78 -18.01 9.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.46 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 52.42 14.08 2.14 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.453 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.462 HG23 ' NE ' ' A' ' 142' ' ' ARG . 11.9 t -97.53 175.0 6.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.756 0.312 . . . . 0.0 111.199 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.512 ' CD1' ' O ' ' A' ' 67' ' ' LEU . 2.7 tm? -66.52 99.43 0.57 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.96 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.49 ' NE2' ' HZ3' ' A' ' 86' ' ' LYS . 6.5 mm-40 -93.9 168.38 11.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.3 m -154.89 162.39 41.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -148.24 165.33 31.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.7 mt -105.37 122.93 46.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.3 t -124.68 146.79 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.165 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.445 ' CE ' ' N ' ' A' ' 52' ' ' GLY . 10.2 tpt -146.9 108.98 4.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 22.8 mtp85 -95.77 135.03 38.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.2 p -77.55 155.68 31.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -77.11 167.11 22.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.05 -47.47 2.26 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.478 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 56.1 p -143.99 137.94 28.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 0.0 110.85 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.495 ' CD2' ' N ' ' A' ' 79' ' ' LEU . 1.2 mm? -68.19 71.22 0.17 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -109.18 110.3 21.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.412 ' CD1' ' N ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -76.56 134.11 39.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.412 ' N ' ' CD1' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -127.31 -27.68 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.885 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.0 tp -121.0 115.85 23.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -147.01 105.0 3.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.465 HG23 ' CB ' ' A' ' 105' ' ' ALA . 4.6 t -146.26 156.37 43.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.49 ' HZ3' ' NE2' ' A' ' 68' ' ' GLN . 3.7 tmmm? -93.27 149.79 20.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.958 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.424 ' O ' ' CD ' ' A' ' 86' ' ' LYS . 26.2 mt -88.7 133.34 34.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.87 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.604 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 46.8 p90 -120.68 158.08 28.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.21 -42.62 66.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.071 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.604 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 70.2 mm-40 -85.08 32.11 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.481 ' HA ' ' NE1' ' A' ' 88' ' ' TRP . 2.3 ttm -77.02 140.6 40.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -98.33 116.41 30.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.405 ' CD1' ' HB3' ' A' ' 132' ' ' LEU . 2.1 tt -151.83 117.66 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -134.69 130.9 37.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.821 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.504 ' HD3' ' CD2' ' A' ' 129' ' ' TYR . 12.4 tptm -62.84 93.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.39 -48.35 81.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 t -149.23 172.6 14.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -70.0 -22.74 63.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -112.95 -8.11 13.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 69.9 m -127.76 150.28 49.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.894 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 8.7 mt -133.41 138.64 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.551 ' CD2' HD11 ' A' ' 117' ' ' LEU . 7.2 m170 -105.25 107.62 18.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -130.96 147.24 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 42.4 p -103.26 127.26 50.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.465 ' CB ' HG23 ' A' ' 85' ' ' THR . . . -144.34 169.72 17.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 28.2 mtt -99.39 163.19 12.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -106.32 157.42 17.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.833 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 78.1 p -79.67 -36.16 38.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.06 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -98.1 -50.97 4.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.838 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 111' ' ' GLN . 3.0 t70 -70.11 -12.46 61.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 110' ' ' ASP . 14.6 mt-30 34.54 47.23 0.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.815 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -140.21 149.63 21.0 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.442 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 64.6 t -79.33 107.51 11.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.863 0.363 . . . . 0.0 111.142 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.547 ' HG3' ' CE2' ' A' ' 116' ' ' PHE . 0.6 OUTLIER -119.15 158.36 26.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 179.874 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 82.2 t -81.87 109.54 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.161 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.551 ' CE1' ' CG1' ' A' ' 38' ' ' VAL . 57.3 m-85 -97.54 156.1 16.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.551 HD11 ' CD2' ' A' ' 102' ' ' HIS . 3.2 tp -122.5 156.66 33.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.435 ' CG2' ' SG ' ' A' ' 34' ' ' CYS . 32.5 mt -131.83 95.63 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.074 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 36.8 t -87.77 100.26 12.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -132.44 172.34 12.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 123' ' ' LYS . 2.7 t -68.16 144.7 54.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 121' ' ' SER . 24.0 p -37.1 -32.25 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.834 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 121' ' ' SER . 19.9 tptm -78.32 -59.51 2.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.882 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -55.79 -53.73 53.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 52.5 m -41.02 -49.93 3.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.147 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -57.37 -44.87 93.38 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -57.54 -60.3 3.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.751 0.31 . . . . 0.0 110.859 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.451 HD21 ' CD2' ' A' ' 54' ' ' LEU . 0.7 OUTLIER -50.95 -67.67 0.23 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.946 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.504 ' CD2' ' HD3' ' A' ' 95' ' ' LYS . 40.6 t80 -46.4 -60.71 2.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -41.41 -45.25 3.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.06 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 132' ' ' LEU . . . -63.78 -62.58 1.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.471 ' O ' ' C ' ' A' ' 133' ' ' HIS . 0.6 OUTLIER -37.98 -70.88 0.09 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.471 ' C ' ' O ' ' A' ' 132' ' ' LEU . 3.0 t-160 -32.89 -68.58 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 135' ' ' ARG . 11.0 t60 -41.64 -61.29 1.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.842 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.456 ' NE ' HD22 ' A' ' 56' ' ' LEU . 12.3 mmt180 -35.99 -39.86 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.819 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.41 HG12 ' HB3' ' A' ' 91' ' ' MET . 4.4 mp -83.62 -44.49 18.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.167 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.418 HD22 ' CE1' ' A' ' 133' ' ' HIS . 83.1 mt -47.26 -29.32 2.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.917 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -77.82 -30.35 51.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.163 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 5.7 mt -78.93 -56.7 4.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -45.34 -28.76 0.89 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.811 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 40.1 t -70.37 -50.16 41.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . 0.462 ' NE ' HG23 ' A' ' 66' ' ' THR . 4.2 mtm105 -47.32 -51.66 18.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.429 ' C ' ' O ' ' A' ' 142' ' ' ARG . 99.9 t -34.91 -54.19 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -104.04 117.49 34.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.4 m -84.23 84.14 7.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -62.2 -153.37 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.514 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -11.67 31.24 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.698 2.265 . . . . 0.0 112.298 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 46.8 p -91.39 147.63 22.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.9 t -143.97 172.08 13.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.911 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.578 -179.932 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.6 m -153.72 145.84 23.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.349 . . . . 0.0 110.896 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.5 p -152.0 167.09 29.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.853 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.93 -49.53 0.36 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.482 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.1 p -48.86 129.19 16.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.816 0.341 . . . . 0.0 110.854 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.1 m -136.33 145.08 45.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.815 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.34 139.29 15.37 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.422 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 73.6 p -86.88 -46.36 9.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.806 0.336 . . . . 0.0 111.145 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -174.67 147.66 1.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.02 150.12 45.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -96.68 -36.12 10.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.461 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 32.0 p -88.86 178.37 6.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.83 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -78.22 129.33 34.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.5 mt -57.5 160.48 4.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 47.16 38.65 7.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -56.62 147.73 21.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.427 HG21 ' N ' ' A' ' 18' ' ' GLU . 16.1 m -77.77 -32.24 17.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.15 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.427 ' N ' HG21 ' A' ' 17' ' ' VAL . 17.8 pt-20 -37.9 -41.04 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.4 m -87.74 -46.98 15.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.452 HG22 ' N ' ' A' ' 21' ' ' THR . 96.0 mt -40.91 147.09 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.078 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.452 ' N ' HG22 ' A' ' 20' ' ' ILE . 3.2 m -53.91 163.98 0.66 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.078 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 23' ' ' GLU . . . -42.83 -37.98 3.06 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.489 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 22' ' ' GLY . 3.7 pt-20 37.14 46.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.77 0.319 . . . . 0.0 110.878 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.594 ' CG ' ' O ' ' A' ' 24' ' ' GLU . 4.3 pt-20 -175.57 109.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 61.43 47.9 6.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.079 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -84.7 157.29 21.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.2 m -107.6 135.21 49.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.83 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -141.87 134.14 27.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.441 ' CG2' HD22 ' A' ' 56' ' ' LEU . 4.4 m -108.89 -33.08 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.409 ' N ' HG21 ' A' ' 29' ' ' VAL . 4.0 pp -156.74 134.17 10.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.412 ' CG ' ' CD1' ' A' ' 53' ' ' LEU . 33.0 tt0 -134.83 132.41 38.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.476 ' HE2' ' CB ' ' A' ' 120' ' ' ALA . 0.2 OUTLIER -155.7 133.97 11.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.911 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -62.26 123.21 17.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 119' ' ' SER . 1.6 t -138.91 -176.25 4.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.437 ' HD3' ' CZ ' ' A' ' 37' ' ' PHE . 33.7 tttp -125.35 151.92 45.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.403 HD22 ' CE1' ' A' ' 116' ' ' PHE . 11.9 tp -115.57 139.46 50.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.437 ' CZ ' ' HD3' ' A' ' 35' ' ' LYS . 64.2 m-85 -130.69 154.85 47.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.833 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.478 ' CG1' ' CE1' ' A' ' 116' ' ' PHE . 2.5 m -144.15 144.08 22.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.138 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.401 ' CZ ' ' HA ' ' A' ' 44' ' ' GLN . 29.4 t80 -89.5 124.14 34.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 42' ' ' THR . 4.8 t0 -118.53 105.04 11.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 40' ' ' ASP . 11.4 ttmt -33.95 -33.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.924 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 40' ' ' ASP . 32.9 m -56.84 -51.01 70.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.144 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 40' ' ' ASP . 44.8 t -89.2 -26.87 21.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.889 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.401 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 1.5 mm-40 68.76 36.11 2.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.86 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 t -165.55 -177.82 4.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.806 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 73.3 m95 -73.87 132.35 42.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.454 HG12 ' N ' ' A' ' 48' ' ' GLU . 92.9 t -124.15 148.89 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.15 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.454 ' N ' HG12 ' A' ' 47' ' ' VAL . 39.1 tt0 -70.3 115.28 9.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -96.07 -43.08 7.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -176.81 126.01 1.08 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -112.29 144.86 41.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.91 0.386 . . . . 0.0 110.818 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.45 ' N ' ' HE3' ' A' ' 73' ' ' MET . . . 165.41 -124.35 1.24 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.469 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.412 ' CD1' ' CG ' ' A' ' 31' ' ' GLN . 53.6 tp -108.83 145.57 35.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.819 0.343 . . . . 0.0 110.922 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.5 tp -141.5 130.1 22.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.466 ' NH2' ' NE ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -151.49 151.14 31.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.825 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.441 HD22 ' CG2' ' A' ' 29' ' ' VAL . 2.3 tp -89.65 111.04 21.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -94.53 154.12 17.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.494 ' OD1' ' CD2' ' A' ' 67' ' ' LEU . 6.2 t0 -108.26 142.36 38.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.517 ' O ' ' N ' ' A' ' 68' ' ' GLN . 18.9 ptt? -150.06 146.7 27.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.16 156.59 31.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.17 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.479 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.5 OUTLIER -87.81 158.14 18.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.865 -179.773 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.77 -49.05 4.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.182 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -88.43 -12.73 42.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -117.29 -18.22 9.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.479 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 52.81 20.6 8.27 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.505 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.471 HG21 ' NE ' ' A' ' 142' ' ' ARG . 11.3 t -105.36 174.92 5.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.826 0.346 . . . . 0.0 111.134 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.494 ' CD2' ' OD1' ' A' ' 58' ' ' ASP . 2.5 tm? -65.5 99.38 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.96 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.517 ' N ' ' O ' ' A' ' 59' ' ' MET . 6.9 mm-40 -94.18 171.6 8.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.463 ' CB ' ' HD3' ' A' ' 135' ' ' ARG . 50.1 m -151.64 160.72 43.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.87 170.54 19.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.0 mt -105.28 118.36 36.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.454 HG21 ' ND2' ' A' ' 84' ' ' ASN . 2.1 t -115.19 148.79 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.471 ' C ' ' SD ' ' A' ' 73' ' ' MET . 0.0 OUTLIER -148.95 116.59 6.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.466 ' NE ' ' NH2' ' A' ' 55' ' ' ARG . 68.6 mtt180 -109.9 128.68 55.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.8 p -72.89 159.52 33.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.106 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -85.82 115.72 23.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 148.64 -77.44 0.24 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.523 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.3 m -122.5 36.0 4.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.953 0.406 . . . . 0.0 110.9 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 40.03 49.89 2.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -85.61 126.32 33.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.464 HD13 ' N ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -84.53 137.99 33.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.464 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -131.7 -29.97 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.08 179.899 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.461 ' N ' HG12 ' A' ' 82' ' ' ILE . 13.8 tp -119.56 124.88 47.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.454 ' ND2' HG21 ' A' ' 72' ' ' VAL . 2.2 t-20 -156.84 105.03 2.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.6 t -144.93 149.11 34.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.472 ' HD3' ' NE2' ' A' ' 68' ' ' GLN . 31.7 ttmt -91.67 121.14 33.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.9 mt -56.12 139.3 47.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.602 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 47.8 p90 -125.86 155.55 41.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.445 ' C ' ' H ' ' A' ' 91' ' ' MET . . . -54.11 -44.87 71.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.602 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 72.9 mm-40 -78.93 29.61 0.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.954 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.514 ' HA ' ' NE1' ' A' ' 88' ' ' TRP . 3.1 ttm -74.34 147.26 42.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -113.01 110.88 21.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.6 tt -141.99 111.87 2.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -112.06 135.8 52.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 12.8 tptp -84.83 98.28 10.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.85 -37.77 76.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.087 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.12 174.19 2.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.799 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -78.48 9.28 4.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -118.8 -31.35 4.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 52.1 p -133.16 152.58 51.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.813 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.408 ' CD1' HG21 ' A' ' 125' ' ' THR . 14.9 mt -140.33 138.51 36.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.103 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.429 ' CD2' HD12 ' A' ' 117' ' ' LEU . 12.8 m170 -103.16 116.59 32.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.3 pp -131.53 144.78 36.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 18.4 p -98.27 128.67 44.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -149.18 159.75 43.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.05 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 12.7 mtm -89.6 173.7 8.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -110.81 161.06 16.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.864 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 62.2 p -86.37 -37.57 18.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -99.27 -48.9 4.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -70.41 -20.21 62.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.792 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 45.1 48.26 9.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -139.88 154.88 24.06 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.462 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 93.3 t -87.95 119.92 36.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.934 0.397 . . . . 0.0 111.181 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.48 ' HD2' ' CZ ' ' A' ' 116' ' ' PHE . 8.8 ptpt -131.84 162.55 30.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 90.5 t -84.9 108.61 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.156 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.48 ' CZ ' ' HD2' ' A' ' 114' ' ' LYS . 55.3 m-85 -96.13 157.4 15.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.429 HD12 ' CD2' ' A' ' 102' ' ' HIS . 6.1 tp -123.77 153.58 40.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.939 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.425 ' N ' ' HG ' ' A' ' 117' ' ' LEU . 62.4 mt -126.19 95.98 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.405 ' O ' ' SG ' ' A' ' 34' ' ' CYS . 26.8 t -91.68 112.55 24.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.476 ' CB ' ' HE2' ' A' ' 32' ' ' MET . . . -147.21 178.17 8.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.0 t -70.5 160.18 32.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 10.0 p -44.31 -34.23 1.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 19.8 tptm -81.1 -67.43 0.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.46 ' HB3' ' CE ' ' A' ' 32' ' ' MET . 39.4 m-20 -41.24 -59.39 1.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.811 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.408 HG21 ' CD1' ' A' ' 101' ' ' ILE . 98.6 m -43.28 -56.33 3.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -48.0 -51.21 19.75 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.46 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -46.83 -69.41 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.828 0.347 . . . . 0.0 110.892 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.4 HD21 ' CE ' ' A' ' 32' ' ' MET . 2.0 mm? -38.35 -69.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.948 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 95' ' ' LYS . 72.3 t80 -44.19 -50.5 8.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.44 -28.36 59.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.085 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -83.85 -51.07 7.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.18 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 133' ' ' HIS . 25.9 mt -53.71 -67.35 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.449 ' C ' ' O ' ' A' ' 132' ' ' LEU . 12.7 t-80 -33.56 -62.07 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -52.93 -47.68 67.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.463 ' HD3' ' CB ' ' A' ' 69' ' ' SER . 2.7 mmp_? -52.68 -37.95 59.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.801 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.464 HD12 ' N ' ' A' ' 136' ' ' ILE . 3.1 mm -67.96 -48.09 76.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.463 ' HA ' ' CG ' ' A' ' 140' ' ' ARG . 22.4 mt -46.86 -41.99 16.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.57 -40.85 93.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.065 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.3 mt -67.9 -51.67 45.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.463 ' CG ' ' HA ' ' A' ' 137' ' ' LEU . 10.4 ptm180 -65.04 -21.42 66.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 18.7 t -73.4 -29.48 62.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.8 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . 0.471 ' NE ' HG21 ' A' ' 66' ' ' THR . 20.8 mtt-85 -73.0 -46.35 52.73 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.419 HG21 ' N ' ' A' ' 144' ' ' GLU . 15.9 m -71.06 -38.89 73.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . 0.419 ' N ' HG21 ' A' ' 143' ' ' VAL . 42.5 mt-10 -131.59 137.93 48.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.821 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 68.1 m -97.97 91.56 5.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -75.15 175.16 51.17 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 164.64 33.88 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.659 2.24 . . . . 0.0 112.298 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 67.3 m -147.36 126.95 13.28 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 29.1 m -128.22 173.06 10.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.508 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.8 t -103.47 142.76 33.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.898 0.38 . . . . 0.0 110.873 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.2 m -107.22 -44.74 4.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.846 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.8 173.23 42.2 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.5 t -128.0 129.94 47.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.898 0.38 . . . . 0.0 110.878 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.4 p -129.57 111.71 13.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.846 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.14 154.97 10.54 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 65.0 p -143.14 114.92 8.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.847 0.356 . . . . 0.0 111.149 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.95 174.8 8.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.6 169.12 23.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -129.25 138.8 51.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 95.2 m -125.4 -49.49 1.67 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.46 ' N ' HD21 ' A' ' 13' ' ' LEU . 2.1 pt? -151.73 173.86 14.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mp -66.17 171.98 4.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 41.65 46.09 3.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.19 173.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.9 m -69.82 -22.89 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -50.31 -38.55 42.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.5 m -87.31 -29.09 5.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.105 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 58.1 mt -67.38 145.57 13.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.434 ' C ' ' H ' ' A' ' 23' ' ' GLU . 36.0 m -98.29 -19.77 17.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.189 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.98 6.36 3.91 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.434 ' H ' ' C ' ' A' ' 21' ' ' THR . 16.0 pt-20 -80.55 15.9 1.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.795 0.331 . . . . 0.0 110.895 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.421 ' CG ' ' N ' ' A' ' 25' ' ' ALA . 10.3 pt-20 -78.33 -54.38 6.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.421 ' N ' ' CG ' ' A' ' 24' ' ' GLU . . . 44.28 30.51 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 25' ' ' ALA . 1.0 OUTLIER -41.38 164.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.891 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.489 ' CB ' ' OD1' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -147.41 138.38 23.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.809 -179.797 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -103.39 108.06 19.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.506 ' CG2' ' N ' ' A' ' 30' ' ' LEU . 2.3 m -77.82 -44.92 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.506 ' N ' ' CG2' ' A' ' 29' ' ' VAL . 3.6 pp -159.63 150.4 19.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.479 ' CG ' HD12 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -142.7 147.61 35.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.457 ' N ' ' HG2' ' A' ' 31' ' ' GLN . 2.7 ptm -168.55 143.64 3.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -72.86 117.49 14.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.95 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 t -134.61 176.05 8.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -120.83 137.43 54.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.457 ' CD2' ' CD1' ' A' ' 116' ' ' PHE . 5.8 tp -103.05 137.01 41.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -136.34 117.78 14.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.655 ' CG1' ' CE1' ' A' ' 116' ' ' PHE . 28.6 m -109.56 152.33 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -87.02 127.31 35.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 42' ' ' THR . 66.9 t0 -119.64 98.62 6.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 40' ' ' ASP . 2.9 ttmm -33.54 -33.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 40' ' ' ASP . 86.4 m -55.38 -50.68 69.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 40' ' ' ASP . 5.9 p -91.59 -25.99 18.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.412 ' NE2' ' O ' ' A' ' 41' ' ' LYS . 1.0 OUTLIER 68.8 30.7 4.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 56.0 m -149.92 -177.69 6.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 85.1 m95 -81.69 100.65 9.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.963 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 89.2 t -99.19 130.84 47.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.125 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -68.61 134.57 50.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.08 -5.77 19.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 146.97 124.74 1.57 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.418 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.75 156.58 20.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.881 0.372 . . . . 0.0 110.825 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.476 ' N ' ' HE1' ' A' ' 73' ' ' MET . . . 163.99 -119.49 0.88 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.525 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.479 HD12 ' CG ' ' A' ' 31' ' ' GLN . 37.2 tp -112.19 134.56 53.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.822 0.344 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.7 tp -127.55 131.48 50.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.915 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.59 150.78 30.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.407 HD23 ' CB ' ' A' ' 131' ' ' ALA . 3.5 tp -94.36 117.69 30.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -102.6 143.25 32.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.803 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.489 ' OD1' ' CB ' ' A' ' 27' ' ' SER . 0.5 OUTLIER -100.19 145.2 28.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 179.847 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.495 ' O ' ' N ' ' A' ' 68' ' ' GLN . 24.6 ptt? -151.22 151.86 32.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -82.33 154.19 25.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.056 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.434 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 1.1 t -87.31 157.91 19.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.42 -55.2 2.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.78 -6.84 59.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -122.0 -20.47 6.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.434 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 55.39 12.63 4.62 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.463 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.2 t -98.15 172.78 7.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 0.0 111.172 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -66.2 100.96 0.66 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 59' ' ' MET . 6.0 mm-40 -92.15 167.83 11.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.405 ' CB ' HD12 ' A' ' 87' ' ' LEU . 49.5 m -136.87 159.66 41.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -148.19 152.85 37.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.446 ' CD1' HD22 ' A' ' 87' ' ' LEU . 13.8 mt -104.54 120.05 40.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.424 HG11 ' N ' ' A' ' 73' ' ' MET . 2.2 t -123.43 147.23 27.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.068 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.476 ' HE1' ' N ' ' A' ' 52' ' ' GLY . 10.9 tpt -148.32 105.86 3.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 58.4 mtm180 -90.89 138.3 31.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.832 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.421 HG22 ' CD1' ' A' ' 82' ' ' ILE . 19.0 p -91.74 132.0 36.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.076 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -47.87 170.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.91 -75.71 2.17 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.433 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 97.1 p -122.33 22.19 10.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.903 0.382 . . . . 0.0 110.883 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.2 mp 40.43 41.17 0.99 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.9 ttt-85 -70.59 136.87 49.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.422 ' C ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -87.36 128.55 35.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.421 ' CD1' HG22 ' A' ' 75' ' ' THR . 0.2 OUTLIER -127.2 -16.01 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.113 179.888 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.422 HD13 ' N ' ' A' ' 84' ' ' ASN . 2.3 tp -132.22 124.88 29.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.422 ' N ' HD13 ' A' ' 83' ' ' LEU . 2.7 t-20 -157.88 105.57 1.99 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.842 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.405 HG22 ' CB ' ' A' ' 105' ' ' ALA . 4.8 t -143.68 141.51 30.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.466 ' HD2' ' NE2' ' A' ' 68' ' ' GLN . 13.6 ttpt -84.75 117.03 23.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.461 ' CD2' ' HE3' ' A' ' 91' ' ' MET . 8.2 mt -56.51 148.06 20.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.548 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 40.5 p90 -129.93 161.04 31.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.29 -46.13 72.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.112 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.548 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 40.9 mm-40 -83.35 32.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.962 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.484 ' HA ' ' CE2' ' A' ' 88' ' ' TRP . 4.3 tpp -73.99 141.08 45.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -101.05 105.82 17.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.1 tt -145.64 119.85 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -138.64 143.63 39.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.401 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 5.9 tptm -76.9 94.03 3.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.45 -33.72 76.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.075 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.2 t -153.28 174.48 14.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -81.67 -5.72 58.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -128.36 -6.93 5.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.2 m -133.24 149.76 51.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.783 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.439 ' CD1' HD22 ' A' ' 128' ' ' LEU . 5.5 mt -135.44 147.96 28.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.123 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -114.95 100.67 8.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.1 pp -117.75 141.55 36.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 19.5 p -99.29 114.59 27.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.104 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.405 ' CB ' HG22 ' A' ' 85' ' ' THR . . . -131.16 157.44 43.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.441 ' HE1' ' CG2' ' A' ' 113' ' ' VAL . 23.8 mtt -89.38 151.92 21.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -88.55 159.01 18.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 72.4 p -78.72 -42.68 27.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -96.31 -50.2 4.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -67.23 -17.37 64.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 40.67 45.25 1.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -134.64 142.22 13.65 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.512 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.441 ' CG2' ' HE1' ' A' ' 106' ' ' MET . 58.5 t -74.2 103.59 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.93 0.395 . . . . 0.0 111.093 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.562 ' HG3' ' CE2' ' A' ' 116' ' ' PHE . 1.2 ptpm? -112.12 162.48 15.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 86.6 t -83.44 107.39 14.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.146 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.655 ' CE1' ' CG1' ' A' ' 38' ' ' VAL . 46.3 m-85 -95.72 140.57 30.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.814 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.2 tp -109.06 158.38 17.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.951 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.405 HG22 ' CD1' ' A' ' 128' ' ' LEU . 16.8 mt -137.96 105.06 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 48.3 t -99.9 109.4 21.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -140.14 173.63 11.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 6.6 t -52.53 148.3 7.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.3 p -40.73 -39.47 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 14.3 tptp -82.91 -60.05 2.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 127' ' ' GLN . 1.0 OUTLIER -41.49 -56.54 2.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.842 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 99.8 m -41.03 -34.53 0.43 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -80.51 -30.36 40.75 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.525 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 124' ' ' ASP . 15.8 mt-30 -56.61 -69.21 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.815 0.341 . . . . 0.0 110.936 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.439 HD22 ' CD1' ' A' ' 101' ' ' ILE . 0.8 OUTLIER -55.72 -34.09 64.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.435 ' N ' ' HG ' ' A' ' 128' ' ' LEU . 38.0 t80 -61.11 -62.77 1.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -45.93 -25.28 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.074 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.407 ' CB ' HD23 ' A' ' 56' ' ' LEU . . . -79.56 -63.6 1.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.108 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.477 ' O ' ' CD1' ' A' ' 136' ' ' ILE . 10.4 mp -41.67 -64.61 0.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -37.95 -62.05 0.59 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.815 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.5 ' O ' ' N ' ' A' ' 136' ' ' ILE . 47.9 t60 -49.02 -59.81 3.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 134' ' ' HIS . 12.9 mmt180 -36.85 -29.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.5 ' N ' ' O ' ' A' ' 134' ' ' HIS . 4.1 mp -91.18 -46.88 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.075 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.429 ' HA ' ' CG ' ' A' ' 140' ' ' ARG . 66.9 mt -47.2 -29.8 2.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -75.34 -35.04 61.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.8 mt -75.17 -47.04 30.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.429 ' CG ' ' HA ' ' A' ' 137' ' ' LEU . 6.2 ptm180 -64.24 -13.36 48.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.817 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 35.7 t -82.53 -24.06 34.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 25.8 mtp85 -81.22 -50.15 9.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.411 HG23 ' N ' ' A' ' 144' ' ' GLU . 27.4 m -60.84 -51.53 72.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.151 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . 0.411 ' N ' HG23 ' A' ' 143' ' ' VAL . 5.8 mm-40 -136.78 122.47 19.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 11.2 t -117.67 119.86 36.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.911 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -54.08 148.49 18.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.488 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.63 -46.4 1.29 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.773 2.315 . . . . 0.0 112.353 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 43.6 m -53.5 112.94 1.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.81 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 48.7 m -157.25 136.89 12.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.498 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.6 t -122.89 48.11 1.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.898 0.38 . . . . 0.0 110.841 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.0 p -94.55 172.37 8.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.794 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.22 139.89 2.77 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.444 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.2 t -55.32 178.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.892 0.377 . . . . 0.0 110.868 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.7 t -141.15 115.56 9.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.819 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.98 140.15 3.53 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.491 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.8 -54.56 1.0 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.814 0.34 . . . . 0.0 111.119 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -174.31 178.99 1.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.085 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.83 129.25 35.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -152.04 115.01 4.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 16.4 t -53.09 131.69 36.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.2 mt -81.94 136.3 35.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.863 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.476 HD22 ' N ' ' A' ' 15' ' ' GLU . 10.1 tt -54.94 152.97 6.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.476 ' N ' HD22 ' A' ' 14' ' ' LEU . 5.5 mm-40 57.54 47.91 15.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 17' ' ' VAL . 1.3 tppm? -65.49 160.92 21.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.434 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 4.1 m -44.53 -23.12 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -52.28 -37.85 56.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.9 m -98.75 -31.25 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.175 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.484 HG21 ' N ' ' A' ' 21' ' ' THR . 4.3 mt -54.07 143.8 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.092 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.484 ' N ' HG21 ' A' ' 20' ' ' ILE . 99.2 m -59.74 -14.82 16.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.171 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 23' ' ' GLU . . . 116.42 -27.11 8.22 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 22' ' ' GLY . 9.9 pt-20 35.08 46.04 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 110.868 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -98.91 -17.26 18.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -91.02 8.23 36.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -50.92 -176.27 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -90.06 147.53 23.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.791 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -124.54 80.65 1.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 66.9 t -39.28 -69.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.144 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.4 pp -144.03 134.68 24.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.499 ' CG ' HD13 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -124.89 129.44 50.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.925 179.893 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.99 123.48 6.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -45.34 134.73 6.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 t -154.31 173.57 15.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.551 ' HD3' ' CZ ' ' A' ' 37' ' ' PHE . 36.6 tttt -114.4 155.25 26.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.47 ' CD2' HD21 ' A' ' 83' ' ' LEU . 13.4 tp -123.43 137.57 54.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.953 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.551 ' CZ ' ' HD3' ' A' ' 35' ' ' LYS . 59.4 m-85 -130.35 163.59 26.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.697 ' CG1' ' CE1' ' A' ' 116' ' ' PHE . 2.8 m -150.88 152.34 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -100.24 117.51 34.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.504 ' O ' ' N ' ' A' ' 42' ' ' THR . 16.6 t0 -110.25 103.86 12.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.839 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 40' ' ' ASP . 1.7 ttmm -34.38 -32.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.504 ' N ' ' O ' ' A' ' 40' ' ' ASP . 89.3 m -57.1 -49.92 74.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 40' ' ' ASP . 7.5 t -90.93 -26.13 19.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 41' ' ' LYS . 1.6 mm-40 70.3 31.71 3.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.8 m -160.21 -178.03 6.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.781 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 60.7 m95 -76.17 142.8 41.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.964 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 86.0 t -130.22 147.53 33.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.111 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -72.48 95.02 1.73 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.768 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -70.71 -59.97 2.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -170.4 120.29 0.85 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.493 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.09 145.75 29.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.859 0.361 . . . . 0.0 110.854 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.547 ' N ' ' CE ' ' A' ' 73' ' ' MET . . . 174.45 -125.92 1.15 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.525 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.499 HD13 ' CG ' ' A' ' 31' ' ' GLN . 29.0 tp -111.22 115.99 30.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.86 0.362 . . . . 0.0 110.903 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.7 tp -102.67 137.68 40.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -151.19 152.03 32.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.465 HD13 ' CD ' ' A' ' 135' ' ' ARG . 2.7 tp -102.62 109.51 21.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.7 p-10 -92.4 154.9 18.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -122.75 137.1 55.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.519 ' O ' ' N ' ' A' ' 68' ' ' GLN . 12.3 ptt? -146.64 153.21 40.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.32 150.69 36.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.085 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.509 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -86.24 154.69 21.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.863 -179.76 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.444 HG23 ' N ' ' A' ' 63' ' ' ASP . 5.9 t -99.22 -48.3 4.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.145 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.444 ' N ' HG23 ' A' ' 62' ' ' THR . 3.7 t70 -87.84 -13.99 40.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -116.56 -18.39 10.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.817 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.509 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 56.32 11.22 4.77 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.477 HG22 ' CD ' ' A' ' 142' ' ' ARG . 7.4 t -99.94 175.01 5.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.783 0.325 . . . . 0.0 111.123 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -64.49 99.99 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.519 ' N ' ' O ' ' A' ' 59' ' ' MET . 4.1 mm-40 -90.8 170.33 10.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.469 ' CB ' ' HG2' ' A' ' 135' ' ' ARG . 7.4 m -159.07 170.01 22.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -154.84 153.69 31.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.433 ' CD2' HD22 ' A' ' 132' ' ' LEU . 8.5 mt -92.33 116.71 29.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.3 t -118.93 147.15 22.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.206 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.547 ' CE ' ' N ' ' A' ' 52' ' ' GLY . 12.3 tpt -149.58 105.8 3.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 82.2 mtm180 -96.69 132.21 42.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.6 p -68.31 162.09 25.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -90.26 92.77 9.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 167.64 -95.78 0.12 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.448 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 79' ' ' LEU . 3.5 m -102.07 39.8 1.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.93 0.395 . . . . 0.0 110.876 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 78' ' ' SER . 29.9 mt 37.81 53.56 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.954 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -90.34 114.09 26.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.846 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.457 HD11 ' N ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -77.72 137.0 38.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.457 ' N ' HD11 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -130.09 -29.69 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.126 179.844 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.47 HD21 ' CD2' ' A' ' 36' ' ' LEU . 6.9 tp -119.51 120.64 37.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -152.21 105.34 3.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 11.2 t -142.33 148.86 38.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.103 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.461 ' HD3' ' NE2' ' A' ' 68' ' ' GLN . 29.4 ttmt -93.53 119.91 33.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.42 HD11 ' CB ' ' A' ' 69' ' ' SER . 20.5 mt -56.84 141.59 44.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.931 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.552 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 41.9 p90 -123.54 162.42 22.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.37 -46.13 76.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.083 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.552 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 74.9 mm-40 -83.14 32.58 0.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.493 ' HA ' ' CE2' ' A' ' 88' ' ' TRP . 1.8 tpp -68.02 143.41 55.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 18.4 mp0 -109.41 109.87 20.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.0 tt -141.73 111.34 2.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.201 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -120.61 144.4 48.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.422 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 15.3 tptm -86.92 97.06 10.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.66 -39.01 88.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.0 t -154.17 -178.66 7.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -78.84 -27.82 44.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -108.74 -6.99 15.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 54.3 p -130.76 136.72 49.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.815 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.426 HG22 ' N ' ' A' ' 102' ' ' HIS . 13.6 mt -125.92 160.25 33.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.204 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.432 ' CD2' ' CD1' ' A' ' 117' ' ' LEU . 7.8 m-70 -126.24 110.32 13.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.406 ' CD1' HD13 ' A' ' 71' ' ' LEU . 1.3 pp -128.7 143.56 40.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.182 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 29.5 p -97.39 120.26 37.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -131.74 165.6 23.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.054 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.3 mtt -96.99 161.76 13.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -94.1 155.03 17.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.984 0.421 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 43.4 p -86.46 -33.19 20.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -101.25 -47.66 4.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 111' ' ' GLN . 1.1 m-20 -80.56 -4.6 54.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.938 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 110' ' ' ASP . 13.6 mt-30 34.76 50.07 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.938 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -136.59 146.81 18.8 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.494 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 40.4 t -79.43 134.26 28.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.899 0.38 . . . . 0.0 111.206 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.444 ' HD2' ' CZ ' ' A' ' 116' ' ' PHE . 10.1 ptpt -143.95 162.67 35.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 89.0 t -84.11 108.49 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.697 ' CE1' ' CG1' ' A' ' 38' ' ' VAL . 56.6 m-85 -95.93 171.0 8.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.432 ' CD1' ' CD2' ' A' ' 102' ' ' HIS . 4.9 tp -134.02 154.73 50.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 9.8 mt -131.34 96.26 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.184 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 33.7 t -93.79 114.0 26.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -148.3 169.1 20.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 123' ' ' LYS . 3.5 t -53.34 140.47 27.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.809 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 121' ' ' SER . 4.2 p -37.79 -31.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.863 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 121' ' ' SER . 13.2 tptm -83.65 -59.4 2.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.896 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.6 -54.17 15.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.861 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 24.8 m -42.37 -57.03 2.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.186 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -46.46 -44.9 16.58 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.523 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -60.71 -60.35 3.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.88 0.371 . . . . 0.0 110.916 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.402 ' CD1' HD11 ' A' ' 132' ' ' LEU . 0.2 OUTLIER -50.64 -38.88 48.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.422 ' CZ ' ' HB2' ' A' ' 95' ' ' LYS . 32.6 t80 -65.9 -53.49 38.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.03 -49.25 69.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.149 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -49.96 -67.25 0.28 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.113 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.463 ' O ' ' C ' ' A' ' 133' ' ' HIS . 9.2 mp -46.81 -66.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.463 ' C ' ' O ' ' A' ' 132' ' ' LEU . 11.6 t-160 -32.8 -58.52 0.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.515 ' C ' ' CD2' ' A' ' 134' ' ' HIS . 2.0 t60 -53.09 -61.69 2.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.51 HH21 ' CD2' ' A' ' 134' ' ' HIS . 0.0 OUTLIER -37.02 -33.26 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.461 ' N ' HD13 ' A' ' 136' ' ' ILE . 2.7 mm -76.58 -51.53 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.099 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.49 ' HA ' ' CG ' ' A' ' 140' ' ' ARG . 20.2 mt -47.46 -37.3 11.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.75 -34.18 75.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.0 mt -82.08 -64.89 1.09 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.514 ' CZ ' ' HB2' ' A' ' 140' ' ' ARG . 1.3 ptm85 -45.83 -30.59 1.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 37.4 t -63.56 -39.15 93.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . 0.477 ' CD ' HG22 ' A' ' 66' ' ' THR . 10.2 mtp-105 -65.37 -42.09 93.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 63.4 t -52.91 -56.84 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.175 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -88.84 -179.61 6.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.936 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 81.1 p -170.22 110.55 0.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -102.71 150.63 17.98 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.489 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 103.92 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.653 2.236 . . . . 0.0 112.371 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 54.0 p -61.47 96.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.819 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 47.6 m -89.26 92.75 9.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.432 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.817 0.341 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -112.89 93.71 4.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.513 HG21 ' CD2' ' A' ' 56' ' ' LEU . 58.2 t -55.16 -74.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.497 ' O ' HD12 ' A' ' 30' ' ' LEU . 4.2 pp -139.57 135.7 33.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.828 ' CG ' HD11 ' A' ' 53' ' ' LEU . 34.7 tt0 -123.3 132.11 53.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.944 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.565 ' CE ' HD23 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -159.2 147.99 18.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -69.45 125.64 27.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.569 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.9 t -143.81 179.52 7.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.468 ' HG2' ' CB ' ' A' ' 51' ' ' ARG . 29.8 mtmt -127.6 150.74 49.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.8 tp -116.98 142.87 46.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -144.03 141.74 30.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.568 ' CG1' ' CE1' ' A' ' 116' ' ' PHE . 0.4 OUTLIER -124.97 147.93 29.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.532 ' CZ ' ' HA ' ' A' ' 44' ' ' GLN . 46.6 t80 -92.53 106.46 18.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 42' ' ' THR . 22.9 t0 -94.41 104.1 16.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.794 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 40' ' ' ASP . 0.5 OUTLIER -37.69 -29.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.466 ' N ' ' O ' ' A' ' 40' ' ' ASP . 59.2 m -57.94 -47.95 81.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.3 m -95.39 -22.18 17.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.532 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 6.9 mm100 67.37 32.66 5.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.2 t -158.19 -178.41 7.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 62.0 m95 -76.6 121.99 23.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.1 t -109.53 138.65 36.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.055 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -60.42 117.12 4.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.471 ' HA ' ' NE ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -104.83 -51.68 3.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -175.65 126.38 1.15 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.469 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.468 ' CB ' ' HG2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -115.21 134.04 55.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.908 0.385 . . . . 0.0 110.834 -179.857 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.405 ' N ' ' CE ' ' A' ' 73' ' ' MET . . . 178.62 -132.33 1.89 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.493 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.828 HD11 ' CG ' ' A' ' 31' ' ' GLN . 53.8 tp -99.36 149.27 23.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.816 0.341 . . . . 0.0 110.914 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.757 HD12 ' O ' ' A' ' 72' ' ' VAL . 3.4 tp -138.48 131.89 30.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.96 152.52 33.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.598 HD22 ' NE ' ' A' ' 135' ' ' ARG . 2.6 tp -98.05 112.66 24.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -96.51 133.51 40.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.42 125.66 38.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.488 ' O ' ' N ' ' A' ' 68' ' ' GLN . 21.4 ptt? -124.64 159.71 30.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.812 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.3 146.07 26.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.074 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.457 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -83.99 157.01 22.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.809 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.88 -56.11 2.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -81.19 -14.24 57.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.658 ' HB3' HG22 ' A' ' 66' ' ' THR . 0.8 OUTLIER -114.23 -20.76 10.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.797 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.457 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 55.52 12.27 4.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.443 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.658 HG22 ' HB3' ' A' ' 64' ' ' ASP . 13.7 t -98.37 174.76 6.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.798 0.332 . . . . 0.0 111.17 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.551 ' C ' HD13 ' A' ' 67' ' ' LEU . 2.7 tm? -68.39 99.38 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 59' ' ' MET . 6.0 mm-40 -88.04 165.83 14.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.7 m -142.94 162.25 35.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -152.74 170.99 18.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.603 HD13 HD13 ' A' ' 103' ' ' ILE . 6.5 mt -109.31 116.1 31.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.95 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.757 ' O ' HD12 ' A' ' 54' ' ' LEU . 2.2 t -118.32 147.02 22.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.091 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.466 ' HG3' HD11 ' A' ' 82' ' ' ILE . 8.8 tpt -147.54 107.84 4.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.825 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.43 ' NH1' ' O ' ' A' ' 79' ' ' LEU . 44.6 mtt-85 -98.68 136.47 38.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 46.1 p -70.13 168.16 16.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.184 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.467 ' CD ' ' N ' ' A' ' 77' ' ' GLY . 3.7 pp0? -81.29 -29.04 34.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.467 ' N ' ' CD ' ' A' ' 76' ' ' GLN . . . -63.43 -99.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 80' ' ' ARG . 3.6 m -97.32 39.69 1.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.898 0.38 . . . . 0.0 110.866 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.43 ' O ' ' NH1' ' A' ' 74' ' ' ARG . 9.7 mp 36.49 30.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 78' ' ' SER . 1.5 ptp180 -65.2 144.84 56.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.623 HD11 ' O ' ' A' ' 83' ' ' LEU . 0.1 OUTLIER -92.84 129.74 38.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.666 ' H ' HD13 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -125.55 -21.08 2.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.834 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.623 ' O ' HD11 ' A' ' 81' ' ' LEU . 3.2 tp -127.47 118.12 23.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.9 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -149.34 104.91 3.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.946 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.662 HG21 ' HB1' ' A' ' 105' ' ' ALA . 11.1 t -143.25 147.86 35.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.469 ' HD2' ' NE2' ' A' ' 68' ' ' GLN . 12.7 ttpt -93.57 118.66 31.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.704 HD23 ' HE2' ' A' ' 91' ' ' MET . 4.3 mt -55.74 153.0 8.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.836 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.586 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 48.8 p90 -137.24 155.49 49.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -47.9 -46.79 32.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.586 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 55.9 mm-40 -83.42 29.67 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.704 ' HE2' HD23 ' A' ' 87' ' ' LEU . 3.7 tpp -70.41 140.93 52.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.817 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -100.52 118.88 37.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.484 ' CD1' ' HB2' ' A' ' 132' ' ' LEU . 1.2 tt -153.85 118.9 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -130.3 147.41 52.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 17.0 tptm -86.91 98.02 11.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.87 -39.65 76.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 69.5 m -154.62 175.14 14.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -78.9 2.37 20.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.2 mtmm -130.25 -31.46 1.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.832 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 60.0 p -113.32 150.45 32.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.916 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.962 HD12 HD11 ' A' ' 128' ' ' LEU . 8.5 mt -139.12 149.93 23.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.194 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.438 ' CE1' ' CD1' ' A' ' 117' ' ' LEU . 1.2 m80 -113.35 104.7 12.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.603 HD13 HD13 ' A' ' 71' ' ' LEU . 1.1 pp -123.25 141.71 42.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.449 ' O ' ' HE1' ' A' ' 91' ' ' MET . 61.6 p -96.21 128.84 43.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.662 ' HB1' HG21 ' A' ' 85' ' ' THR . . . -142.78 170.84 14.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.629 ' HG3' HG22 ' A' ' 113' ' ' VAL . 31.6 mtm -113.67 136.27 53.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.475 ' HB2' ' CE ' ' A' ' 114' ' ' LYS . 16.9 t70 -68.51 173.0 5.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 31.1 p -89.38 -35.89 15.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.076 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -96.33 -55.44 2.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.835 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -65.44 -24.12 67.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 46.22 35.33 2.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -116.28 145.24 18.67 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.515 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.629 HG22 ' HG3' ' A' ' 106' ' ' MET . 39.4 t -79.89 117.85 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.886 0.374 . . . . 0.0 111.216 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.496 ' HG3' ' CE2' ' A' ' 116' ' ' PHE . 2.2 pttt -132.12 163.0 29.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 57.5 t -82.13 108.17 14.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.079 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.574 ' CD2' ' HB3' ' A' ' 105' ' ' ALA . 60.9 m-85 -95.99 157.59 15.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.438 ' CD1' ' CE1' ' A' ' 102' ' ' HIS . 4.2 tp -123.66 155.57 37.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.543 HG21 HD22 ' A' ' 128' ' ' LEU . 16.2 mt -134.49 106.66 8.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 34.7 t -99.83 123.05 43.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.569 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -157.52 169.92 23.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.147 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 6.1 t -54.91 153.88 5.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.859 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 51.6 p -48.74 -26.94 2.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.844 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -87.98 -61.38 1.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.947 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -48.31 -49.13 35.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 31.4 m -49.03 -46.3 43.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -65.7 -34.99 90.44 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.483 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -60.5 -66.73 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.767 0.318 . . . . 0.0 110.89 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.962 HD11 HD12 ' A' ' 101' ' ' ILE . 3.1 pp -49.93 -43.2 49.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.607 ' N ' HD12 ' A' ' 128' ' ' LEU . 35.9 t80 -61.19 -53.71 53.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -51.57 -19.52 1.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.126 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.456 ' HB3' HH21 ' A' ' 135' ' ' ARG . . . -85.89 -60.42 2.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.068 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.933 HD23 ' CZ ' ' A' ' 135' ' ' ARG . 46.1 mt -39.05 -65.56 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.467 ' C ' ' O ' ' A' ' 132' ' ' LEU . 2.5 t-160 -32.48 -65.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.702 ' HA ' HD12 ' A' ' 137' ' ' LEU . 75.0 t60 -47.44 -56.64 6.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.933 ' CZ ' HD23 ' A' ' 132' ' ' LEU . 58.9 mtt180 -37.27 -31.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.569 HG22 ' HD2' ' A' ' 140' ' ' ARG . 3.8 mp -92.01 -44.75 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.702 HD12 ' HA ' ' A' ' 134' ' ' HIS . 20.4 mt -50.8 -31.92 18.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -72.6 -29.01 63.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.055 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 3.1 mt -81.2 -46.19 15.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.884 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.569 ' HD2' HG22 ' A' ' 136' ' ' ILE . 4.6 mtp180 -63.2 -22.21 66.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 2.0 m -77.31 -17.07 58.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 8.3 mtt85 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.827 -179.943 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.868 0.366 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -110.29 90.7 3.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.585 HG21 ' CD2' ' A' ' 56' ' ' LEU . 6.4 t -58.68 -70.61 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.43 ' O ' HD12 ' A' ' 30' ' ' LEU . 4.5 pp -139.45 144.2 37.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.892 ' CG ' HD11 ' A' ' 53' ' ' LEU . 34.0 tt0 -134.74 128.04 32.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.426 ' HE1' ' CB ' ' A' ' 120' ' ' ALA . 0.1 OUTLIER -156.6 138.49 14.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -62.43 133.06 54.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.783 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.6 t -146.19 174.85 10.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 41.1 mtpt -120.99 128.45 52.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.5 tp -101.95 125.25 48.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -115.86 134.26 55.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.4 p -110.64 137.65 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.099 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -90.41 121.33 32.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 42' ' ' THR . 51.4 t0 -108.38 96.11 6.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -38.09 -27.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 40' ' ' ASP . 29.4 m -60.73 -49.01 79.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.075 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.0 m -92.83 -25.36 18.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 67.98 36.46 3.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.0 m -150.08 168.02 25.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.81 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.421 ' CZ2' HD13 ' A' ' 117' ' ' LEU . 79.6 m95 -78.35 106.93 10.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.963 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 94.2 t -105.54 137.49 35.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.117 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.35 134.46 53.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.58 -37.52 3.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -177.76 121.55 0.78 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -116.72 141.14 48.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.909 0.385 . . . . 0.0 110.87 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 168.02 -118.53 0.79 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.546 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.892 HD11 ' CG ' ' A' ' 31' ' ' GLN . 45.3 tp -112.74 150.51 31.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.87 0.366 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.6 HD12 ' O ' ' A' ' 72' ' ' VAL . 4.0 tp -141.69 132.18 25.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.952 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.2 152.75 33.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.776 HD22 ' HB1' ' A' ' 131' ' ' ALA . 4.7 tp -89.72 114.25 25.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -94.12 123.23 37.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.923 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -96.36 139.63 32.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.495 ' O ' ' N ' ' A' ' 68' ' ' GLN . 16.5 ptt? -147.73 160.72 42.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -91.69 145.11 24.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.467 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.7 OUTLIER -82.73 154.32 24.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.899 -179.817 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.41 -54.64 2.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.193 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -83.62 -7.26 59.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.401 ' HB2' HG22 ' A' ' 66' ' ' THR . 4.2 m-20 -121.53 -21.12 6.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.467 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 56.79 10.55 4.75 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.491 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.419 HG21 ' HD2' ' A' ' 142' ' ' ARG . 9.2 t -95.8 172.67 7.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.801 0.334 . . . . 0.0 111.159 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.412 ' C ' HD13 ' A' ' 67' ' ' LEU . 2.6 tm? -68.87 99.72 1.09 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 59' ' ' MET . 7.3 mm-40 -84.63 169.21 14.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.41 ' HB2' HD12 ' A' ' 87' ' ' LEU . 48.9 m -157.84 163.73 37.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -149.8 171.47 16.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 1.018 HD21 HD21 ' A' ' 132' ' ' LEU . 11.8 mt -113.47 111.09 21.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.981 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.6 ' O ' HD12 ' A' ' 54' ' ' LEU . 2.3 t -113.4 147.11 17.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.491 ' O ' HD13 ' A' ' 82' ' ' ILE . 13.7 tpt -148.36 105.83 3.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.9 mtt-85 -92.98 144.19 25.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.572 HG23 HD12 ' A' ' 82' ' ' ILE . 9.3 p -88.66 144.94 25.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -59.99 133.55 56.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 112.76 -97.01 0.86 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.485 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.2 m -88.73 17.57 5.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.35 . . . . 0.0 110.76 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.4 mp 41.07 33.94 0.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.939 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 18.6 ttt180 -61.56 138.85 58.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.685 HD11 ' O ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -91.8 134.65 34.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.901 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.671 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -129.01 -28.03 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.685 ' O ' HD11 ' A' ' 81' ' ' LEU . 4.9 tp -121.76 128.49 51.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.955 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.589 ' OD1' HG22 ' A' ' 108' ' ' THR . 1.2 p30 -161.97 105.69 1.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.9 t -145.28 139.55 27.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.167 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.467 ' HD2' ' NE2' ' A' ' 68' ' ' GLN . 4.8 ttpm? -80.17 123.14 27.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.986 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.677 HD23 ' HE2' ' A' ' 91' ' ' MET . 21.3 mt -56.99 141.13 46.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.579 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 46.5 p90 -122.59 158.96 28.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.822 ' HB1' ' HA ' ' A' ' 140' ' ' ARG . . . -52.75 -44.55 66.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.095 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.579 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 47.7 mm-40 -84.05 32.3 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.677 ' HE2' HD23 ' A' ' 87' ' ' LEU . 1.3 tpp -72.37 132.01 43.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -98.4 117.11 32.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.471 HG13 HG22 ' A' ' 103' ' ' ILE . 1.3 tt -151.79 124.71 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -142.2 145.62 34.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.493 ' HD3' ' CD2' ' A' ' 129' ' ' TYR . 11.7 tptm -75.83 93.84 3.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.37 -29.55 70.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.099 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.9 t -162.54 174.21 12.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.466 ' CG ' ' HB2' ' A' ' 122' ' ' SER . 5.2 tt0 -73.27 -23.0 60.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -122.3 15.4 10.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.965 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.4 m -151.01 140.74 21.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.751 ' HB ' HD12 ' A' ' 118' ' ' ILE . 5.8 mt -131.19 151.87 36.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.167 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.717 ' CE1' ' CD1' ' A' ' 117' ' ' LEU . 1.8 m80 -118.0 103.58 10.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.819 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.492 HD13 HD13 ' A' ' 71' ' ' LEU . 1.6 pp -122.7 144.84 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.405 ' O ' ' HE1' ' A' ' 91' ' ' MET . 31.4 p -97.44 126.23 42.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.098 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -140.58 159.0 43.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.667 ' HG3' HG22 ' A' ' 113' ' ' VAL . 27.8 mtt -85.91 157.83 20.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -100.71 153.37 19.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.589 HG22 ' OD1' ' A' ' 84' ' ' ASN . 40.9 p -76.97 -34.95 57.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.219 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -99.33 -56.31 2.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -64.34 -13.02 47.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 39.41 35.99 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.951 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -130.52 153.94 20.43 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.446 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.667 HG22 ' HG3' ' A' ' 106' ' ' MET . 61.6 t -86.57 119.84 35.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.938 0.399 . . . . 0.0 111.097 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 9.9 ptpt -127.79 175.18 8.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 72.7 t -96.04 108.98 21.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.166 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -96.88 174.37 6.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.717 ' CD1' ' CE1' ' A' ' 102' ' ' HIS . 3.7 tp -134.12 157.16 46.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.905 HG21 HD11 ' A' ' 128' ' ' LEU . 5.9 mt -134.25 99.14 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.094 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 26.6 t -93.87 121.47 35.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.783 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -156.82 174.35 15.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 123' ' ' LYS . 6.5 t -60.16 141.41 55.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.817 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.466 ' HB2' ' CG ' ' A' ' 98' ' ' GLU . 53.2 p -41.13 -26.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.822 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 121' ' ' SER . 0.8 OUTLIER -83.47 -61.0 1.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -53.83 -51.36 63.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.878 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.401 ' O ' HD11 ' A' ' 101' ' ' ILE . 99.8 m -43.19 -40.9 3.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.169 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -75.91 -30.8 57.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.476 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -60.98 -69.25 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.883 0.373 . . . . 0.0 110.951 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.905 HD11 HG21 ' A' ' 118' ' ' ILE . 1.3 pt? -54.27 -38.63 66.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.939 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.493 ' CD2' ' HD3' ' A' ' 95' ' ' LYS . 22.9 t80 -55.57 -59.83 4.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -50.55 -35.08 28.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.134 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.776 ' HB1' HD22 ' A' ' 56' ' ' LEU . . . -64.88 -70.19 0.24 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 1.018 HD21 HD21 ' A' ' 71' ' ' LEU . 6.9 mp -37.91 -70.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.945 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.552 ' NE2' HD21 ' A' ' 137' ' ' LEU . 11.1 t-80 -32.75 -68.52 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.714 ' HA ' HD12 ' A' ' 137' ' ' LEU . 1.6 t-80 -43.33 -59.76 1.97 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.475 ' NE ' HD21 ' A' ' 56' ' ' LEU . 11.6 mmt180 -40.07 -37.88 0.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.619 HD11 HD22 ' A' ' 87' ' ' LEU . 3.1 mm -72.32 -51.35 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.083 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.714 HD12 ' HA ' ' A' ' 134' ' ' HIS . 40.7 mt -37.7 -31.39 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 136' ' ' ILE . . . -70.16 -43.26 71.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.104 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.52 HD23 ' N ' ' A' ' 139' ' ' LEU . 2.3 mt -74.66 -53.98 8.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.822 ' HA ' ' HB1' ' A' ' 89' ' ' ALA . 7.1 ptp180 -58.57 -11.2 2.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 31.3 t -88.75 -18.7 27.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' ARG . . . . . 0.419 ' HD2' HG21 ' A' ' 66' ' ' THR . 38.0 mtp85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.933 0.397 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -108.02 118.54 37.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.765 HG21 HD23 ' A' ' 56' ' ' LEU . 1.8 m -94.74 -39.15 9.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.142 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.574 ' C ' HD12 ' A' ' 30' ' ' LEU . 2.8 pp -156.73 137.79 13.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.97 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.87 ' CG ' HD11 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -131.73 147.44 52.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.422 ' N ' ' HG2' ' A' ' 31' ' ' GLN . 3.4 ptt? -169.19 129.35 1.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -61.39 117.05 5.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.982 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.767 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 2.6 t -136.14 174.03 11.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.464 ' HG3' ' CB ' ' A' ' 51' ' ' ARG . 26.9 tttt -113.44 149.34 34.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 tp -119.39 137.28 53.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.437 ' CE1' ' HE2' ' A' ' 35' ' ' LYS . 83.5 m-85 -132.1 162.25 31.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.784 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.607 ' CG1' ' CE1' ' A' ' 116' ' ' PHE . 2.5 m -146.35 138.0 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.135 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.562 ' CZ ' ' C ' ' A' ' 44' ' ' GLN . 20.2 t80 -82.99 110.7 18.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 42' ' ' THR . 36.4 t0 -100.11 104.63 16.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -33.87 -35.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.949 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 40' ' ' ASP . 19.5 m -54.81 -50.77 67.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 40' ' ' ASP . 17.4 m -89.51 -24.76 21.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.562 ' C ' ' CZ ' ' A' ' 39' ' ' PHE . 6.2 mm100 69.37 25.7 5.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.9 t -155.36 -177.14 6.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 76.7 m95 -73.0 137.54 45.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.972 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.9 t -130.0 144.58 37.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.074 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 64.7 tt0 -68.68 113.88 6.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.801 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.53 ' HB2' HG22 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -99.69 -56.77 2.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.877 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -164.86 121.26 0.99 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.477 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.464 ' CB ' ' HG3' ' A' ' 35' ' ' LYS . 23.2 ptt180 -113.32 151.96 30.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.931 0.396 . . . . 0.0 110.835 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 161.07 -130.26 2.31 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.491 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.87 HD11 ' CG ' ' A' ' 31' ' ' GLN . 50.1 tp -97.88 132.17 43.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.824 0.345 . . . . 0.0 110.874 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.99 HD21 HD11 ' A' ' 128' ' ' LEU . 4.6 tp -122.19 130.52 53.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -151.15 151.7 32.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.821 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.765 HD23 HG21 ' A' ' 29' ' ' VAL . 4.4 tp -90.07 139.44 30.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.44 ' C ' ' OD1' ' A' ' 57' ' ' ASN . 22.5 t-20 -116.42 121.06 40.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -95.19 131.25 41.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.5 ' O ' ' N ' ' A' ' 68' ' ' GLN . 20.4 ptt? -137.15 160.67 38.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.797 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -89.76 145.06 25.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.062 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.466 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -83.01 153.38 24.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.8 -179.776 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.27 -58.89 1.86 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.177 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -79.62 -7.47 58.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -119.75 -24.77 6.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.466 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 60.56 7.42 7.71 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.534 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.8 t -91.96 174.69 7.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 0.0 111.169 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.448 ' C ' HD13 ' A' ' 67' ' ' LEU . 3.2 tm? -71.67 99.84 2.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 59' ' ' MET . 7.9 mm-40 -85.59 169.72 13.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.4 m -154.9 168.3 27.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -155.85 165.94 34.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.633 HD13 HD13 ' A' ' 103' ' ' ILE . 11.0 mt -107.04 118.32 36.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.486 HG13 HD21 ' A' ' 81' ' ' LEU . 2.2 t -117.61 147.24 21.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 6.8 tpt -144.1 115.74 8.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 53' ' ' LEU . 97.6 mtt180 -103.05 134.08 47.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.632 HG23 HD12 ' A' ' 82' ' ' ILE . 4.2 p -76.48 158.47 31.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -82.78 -37.2 24.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -54.38 -31.93 51.51 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.455 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.7 m -172.26 164.74 5.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.923 0.392 . . . . 0.0 110.878 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -74.07 62.31 0.89 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 17.3 ttt180 -114.55 137.94 51.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.655 HD13 ' N ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -93.58 137.38 32.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.655 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -127.61 -27.07 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.829 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.569 ' O ' HD11 ' A' ' 81' ' ' LEU . 3.1 tp -126.05 114.79 18.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -147.55 105.06 3.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.3 t -146.38 144.93 30.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.111 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.452 ' HD2' ' NE2' ' A' ' 68' ' ' GLN . 10.5 ttpt -88.22 121.36 30.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.753 HD23 ' CE ' ' A' ' 91' ' ' MET . 6.8 mt -56.92 159.55 4.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.935 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.565 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 42.5 p90 -141.51 158.86 43.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.969 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.98 -45.23 64.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.565 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 50.7 mm-40 -84.37 31.95 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.753 ' CE ' HD23 ' A' ' 87' ' ' LEU . 6.2 tpp -70.85 139.63 50.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -97.58 111.66 23.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.402 HD12 ' CD2' ' A' ' 132' ' ' LEU . 1.5 tt -148.02 127.49 4.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.183 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -141.07 145.61 36.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.9 tptm -82.4 98.22 8.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.0 -28.39 63.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.4 t -169.78 170.23 7.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.876 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -75.28 -2.91 30.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -132.94 16.58 4.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 83.7 p -160.36 140.58 11.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.429 HD11 ' O ' ' A' ' 125' ' ' THR . 9.1 mt -130.48 144.66 37.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.169 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.515 ' CE1' ' CD1' ' A' ' 117' ' ' LEU . 0.7 OUTLIER -109.57 103.54 12.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.633 HD13 HD13 ' A' ' 71' ' ' LEU . 1.1 pp -120.42 151.02 23.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 38.0 p -106.12 124.96 50.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.139 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.48 ' HB3' ' CD2' ' A' ' 116' ' ' PHE . . . -140.52 167.67 21.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.202 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.717 ' HG3' HG22 ' A' ' 113' ' ' VAL . 14.3 mtt -100.36 159.16 15.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.852 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -96.82 164.06 12.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 66.3 p -86.85 -36.76 18.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.229 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -100.6 -38.55 8.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.8 -26.57 44.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 49.33 44.62 23.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -136.55 141.94 13.04 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.717 HG22 ' HG3' ' A' ' 106' ' ' MET . 31.2 t -77.49 108.7 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.854 0.359 . . . . 0.0 111.171 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.493 ' HG3' ' CE2' ' A' ' 116' ' ' PHE . 3.3 ptpt -119.23 162.81 18.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 48.6 t -81.76 106.96 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.607 ' CE1' ' CG1' ' A' ' 38' ' ' VAL . 64.0 m-85 -96.21 149.24 21.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.515 ' CD1' ' CE1' ' A' ' 102' ' ' HIS . 5.0 tp -116.37 155.02 29.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.413 ' CG2' ' SG ' ' A' ' 34' ' ' CYS . 36.9 mt -128.73 98.78 4.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 31.5 t -88.67 108.8 19.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.862 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.767 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -144.5 169.06 18.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 19.0 t -63.47 161.07 15.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.4 p -49.59 -42.51 44.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -71.86 -61.59 1.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 127' ' ' GLN . 3.9 m-20 -50.18 -60.27 3.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.88 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.429 ' O ' HD11 ' A' ' 101' ' ' ILE . 87.4 m -35.66 -42.07 0.23 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.169 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -63.26 -41.47 99.56 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.417 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' A' ' 124' ' ' ASP . 2.0 mm100 -50.64 -61.73 2.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.816 0.341 . . . . 0.0 110.884 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.99 HD11 HD21 ' A' ' 54' ' ' LEU . 0.4 OUTLIER -50.58 -70.32 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -37.44 -63.13 0.47 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.99 -44.24 4.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.148 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.427 ' HB3' HH21 ' A' ' 135' ' ' ARG . . . -68.31 -62.5 1.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.114 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.557 ' CD2' HG21 ' A' ' 103' ' ' ILE . 4.0 mp -38.19 -67.26 0.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.452 ' C ' ' O ' ' A' ' 132' ' ' LEU . 4.1 t-160 -34.01 -62.53 0.31 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.865 ' HA ' HD12 ' A' ' 137' ' ' LEU . 26.5 t60 -48.65 -54.6 14.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.557 ' HD3' HD13 ' A' ' 56' ' ' LEU . 53.0 mtt180 -41.04 -27.59 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.575 ' N ' HD12 ' A' ' 136' ' ' ILE . 3.5 mp -94.07 -45.36 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.865 HD12 ' HA ' ' A' ' 134' ' ' HIS . 13.6 mt -50.01 -35.68 25.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.412 ' O ' ' CG ' ' A' ' 142' ' ' ARG . . . -66.43 -26.29 67.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.41 HD23 ' N ' ' A' ' 139' ' ' LEU . 1.0 OUTLIER -90.01 -56.77 3.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.571 ' HD2' HD23 ' A' ' 137' ' ' LEU . 4.3 ptp180 -57.57 -23.24 49.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 41.9 t -74.18 -28.73 61.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.833 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' ARG . . . . . 0.436 ' HB3' ' NH1' ' A' ' 142' ' ' ARG . 1.8 mtp-105 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.5 t . . . . . 0 C--O 1.23 0.039 0 CA-C-O 120.915 0.388 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -119.8 107.57 13.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.937 HG11 HD23 ' A' ' 56' ' ' LEU . 7.4 p -92.37 -32.74 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.438 ' C ' HD12 ' A' ' 30' ' ' LEU . 1.2 pp -165.36 134.15 3.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.83 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.957 ' CG ' HD11 ' A' ' 53' ' ' LEU . 16.2 tt0 -132.71 136.62 46.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.517 ' HE2' HD23 ' A' ' 128' ' ' LEU . 4.0 ptt? -161.32 138.64 8.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.445 ' OE1' HD13 ' A' ' 53' ' ' LEU . 3.2 mm100 -70.75 116.83 11.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.764 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.8 t -130.65 179.43 5.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.467 ' HD2' ' CZ ' ' A' ' 37' ' ' PHE . 17.7 ttmt -113.59 144.64 42.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.8 tp -123.26 123.83 41.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.467 ' CZ ' ' HD2' ' A' ' 35' ' ' LYS . 69.1 m-85 -115.87 156.17 26.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.472 ' CG2' ' HD3' ' A' ' 114' ' ' LYS . 3.0 p -139.87 135.47 38.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.452 ' CZ ' ' HA ' ' A' ' 44' ' ' GLN . 28.7 t80 -65.07 136.48 56.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.417 ' C ' ' N ' ' A' ' 42' ' ' THR . 9.9 t0 -125.3 102.0 7.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.912 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.3 -22.83 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.417 ' N ' ' C ' ' A' ' 40' ' ' ASP . 26.0 m -56.39 -50.01 72.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 44' ' ' GLN . 14.3 m -118.97 20.51 12.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.452 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 6.8 mm100 36.86 43.03 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.965 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.6 t -150.37 174.41 12.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 54.3 m95 -75.72 138.9 41.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 66.5 t -130.51 143.2 41.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -55.5 116.66 3.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.86 -51.75 3.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.4 ' O ' ' HE2' ' A' ' 73' ' ' MET . . . -170.34 103.16 0.19 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.526 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -103.36 137.94 40.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.844 0.355 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.558 ' N ' ' CE ' ' A' ' 73' ' ' MET . . . 167.28 -136.62 4.21 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.464 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.957 HD11 ' CG ' ' A' ' 31' ' ' GLN . 18.3 tp -83.34 135.06 34.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.895 0.379 . . . . 0.0 110.951 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.621 HD12 ' O ' ' A' ' 72' ' ' VAL . 4.7 tp -132.36 134.08 44.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.4 ptt180 -151.21 155.07 38.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 1.059 HD22 ' HB1' ' A' ' 131' ' ' ALA . 2.8 tp -97.13 109.57 22.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.958 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -92.26 132.95 36.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -102.35 126.83 49.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.514 ' O ' ' N ' ' A' ' 68' ' ' GLN . 19.9 ptt? -127.31 157.83 38.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.05 150.38 20.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.076 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.486 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 1.1 t -86.28 155.11 20.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.487 ' OG1' ' N ' ' A' ' 63' ' ' ASP . 0.8 OUTLIER -98.76 -60.62 1.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.172 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.487 ' N ' ' OG1' ' A' ' 62' ' ' THR . 0.6 OUTLIER -76.71 -20.53 56.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 179.855 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -105.9 -23.99 12.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.486 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 60.06 7.0 6.08 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.6 t -88.57 175.35 7.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.785 0.326 . . . . 0.0 111.2 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.564 ' C ' HD13 ' A' ' 67' ' ' LEU . 3.5 tm? -73.35 99.76 3.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.514 ' N ' ' O ' ' A' ' 59' ' ' MET . 3.7 mm100 -81.9 165.99 20.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.953 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.484 ' CB ' HD12 ' A' ' 87' ' ' LEU . 38.2 m -155.24 156.11 35.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -147.22 166.66 26.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.577 HD13 HD13 ' A' ' 103' ' ' ILE . 3.0 mt -108.38 113.91 27.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.621 ' O ' HD12 ' A' ' 54' ' ' LEU . 2.2 t -111.69 145.45 17.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.558 ' CE ' ' N ' ' A' ' 52' ' ' GLY . 12.2 tpt -143.56 106.48 4.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.447 ' HD3' ' CD2' ' A' ' 79' ' ' LEU . 72.0 mtt-85 -92.07 127.82 37.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.848 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.486 HG23 HD12 ' A' ' 82' ' ' ILE . 17.2 p -70.53 158.84 35.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.425 ' CD ' ' O ' ' A' ' 76' ' ' GLN . 0.0 OUTLIER -81.84 40.08 0.59 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.932 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -122.59 -95.29 1.25 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.5 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 57.8 m -128.94 64.7 1.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 0.0 110.871 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.447 ' CD2' ' HD3' ' A' ' 74' ' ' ARG . 15.1 mt 40.77 51.43 3.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -96.13 102.01 13.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.819 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.637 HD11 ' O ' ' A' ' 83' ' ' LEU . 0.1 OUTLIER -67.91 132.23 46.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.937 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.65 ' H ' HD13 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -126.68 -21.83 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.053 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.637 ' O ' HD11 ' A' ' 81' ' ' LEU . 4.3 tp -130.37 120.8 24.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.944 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -153.27 104.98 2.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.0 t -142.98 154.11 43.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.103 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.407 ' HD2' ' C ' ' A' ' 86' ' ' LYS . 1.0 OUTLIER -92.76 128.82 38.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 179.867 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.666 HD22 ' SD ' ' A' ' 91' ' ' MET . 12.6 mt -67.84 138.52 56.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.596 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 49.4 p90 -118.95 156.81 28.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.43 -43.83 62.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.117 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.596 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 21.4 mm-40 -83.72 31.51 0.48 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.666 ' SD ' HD22 ' A' ' 87' ' ' LEU . 1.7 ttm -70.01 139.29 52.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.828 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -103.66 113.96 27.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.0 tt -150.26 115.68 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.113 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -128.27 140.58 51.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 10.6 tptm -75.1 93.73 2.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.77 -40.17 88.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.152 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.7 m -147.97 167.38 25.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -71.04 -10.25 59.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -124.76 -21.09 4.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.4 m -113.39 152.3 30.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.892 ' CD1' HD11 ' A' ' 128' ' ' LEU . 3.3 mt -140.14 151.49 21.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.141 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.607 ' CE1' ' CD1' ' A' ' 117' ' ' LEU . 4.4 m80 -120.38 103.18 8.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.577 HD13 HD13 ' A' ' 71' ' ' LEU . 1.2 pp -117.85 150.44 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.145 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 13.7 p -101.59 124.57 47.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -140.8 171.92 13.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.079 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.782 ' HG3' HG22 ' A' ' 113' ' ' VAL . 19.6 mtt -99.26 168.98 9.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -105.18 168.88 8.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 23.3 p -94.5 -39.75 10.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.157 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -101.31 -44.73 5.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -73.93 -10.9 60.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 38.92 43.79 0.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -128.65 154.98 20.34 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.782 HG22 ' HG3' ' A' ' 106' ' ' MET . 45.7 t -88.88 102.06 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.862 0.363 . . . . 0.0 111.135 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.534 ' HG3' ' CZ ' ' A' ' 116' ' ' PHE . 5.1 ptpt -118.27 149.45 41.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.429 ' O ' HG13 ' A' ' 115' ' ' VAL . 4.6 p -90.4 117.1 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.108 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.534 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 82.8 m-85 -95.92 176.91 5.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.839 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.607 ' CD1' ' CE1' ' A' ' 102' ' ' HIS . 3.7 tp -123.88 154.61 39.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.868 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.63 HG22 ' SG ' ' A' ' 34' ' ' CYS . 5.4 mt -135.0 102.39 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 46.0 t -98.11 125.3 43.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.764 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -155.29 172.78 17.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 123' ' ' LYS . 3.2 t -54.43 138.77 39.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.813 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 121' ' ' SER . 7.0 p -36.3 -33.61 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.837 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 121' ' ' SER . 48.5 tptt -84.49 -59.59 2.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.407 ' HB3' ' CE ' ' A' ' 32' ' ' MET . 1.1 m-20 -45.6 -55.19 6.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.878 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.552 HG23 HD11 ' A' ' 101' ' ' ILE . 3.4 m -42.33 -29.1 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -76.64 -38.8 31.24 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.448 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -51.72 -69.42 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.843 0.354 . . . . 0.0 110.924 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.975 HD12 ' N ' ' A' ' 129' ' ' TYR . 3.1 pp -55.34 -43.77 75.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.975 ' N ' HD12 ' A' ' 128' ' ' LEU . 22.5 t80 -50.56 -55.27 16.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.02 -21.04 58.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 1.059 ' HB1' HD22 ' A' ' 56' ' ' LEU . . . -78.48 -55.29 5.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.502 HD21 HD21 ' A' ' 71' ' ' LEU . 10.4 mp -53.76 -70.9 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.957 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 132' ' ' LEU . 8.5 t-160 -34.9 -62.05 0.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -43.04 -61.42 1.31 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.739 ' CZ ' HD21 ' A' ' 56' ' ' LEU . 1.4 mpt_? -39.92 -40.89 1.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.481 ' N ' HD13 ' A' ' 136' ' ' ILE . 3.0 mm -68.45 -53.35 28.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.077 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.498 ' HA ' ' CG ' ' A' ' 140' ' ' ARG . 30.5 mt -44.88 -40.85 6.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.08 -36.67 80.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.54 HD23 ' N ' ' A' ' 139' ' ' LEU . 1.8 mt -77.56 -59.72 2.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.498 ' CG ' ' HA ' ' A' ' 137' ' ' LEU . 5.5 ptm180 -54.33 -15.52 1.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 43.6 t -77.21 -27.14 53.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' ARG . . . . . 0.435 ' HB3' ' NH1' ' A' ' 142' ' ' ARG . 6.5 mtp-105 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.929 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.871 0.367 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -102.18 86.92 2.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.402 ' CG1' HD23 ' A' ' 56' ' ' LEU . 64.7 t -48.68 -69.58 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.519 HD21 ' HB2' ' A' ' 131' ' ' ALA . 4.5 pp -143.76 140.01 29.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.981 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.729 ' HG2' HD11 ' A' ' 53' ' ' LEU . 11.9 tt0 -125.58 129.18 49.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -154.12 136.12 14.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -60.22 127.19 30.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.586 ' SG ' HG23 ' A' ' 118' ' ' ILE . 5.1 t -146.73 170.83 16.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt -120.1 130.28 54.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.4 tp -96.28 128.63 43.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -119.49 144.67 46.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.438 HG13 ' O ' ' A' ' 38' ' ' VAL . 11.9 p -124.85 127.47 72.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.074 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.542 ' HB2' ' CZ3' ' A' ' 46' ' ' TRP . 6.2 t80 -70.21 130.06 41.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.503 ' O ' ' N ' ' A' ' 42' ' ' THR . 31.3 t0 -114.93 90.9 3.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.828 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.533 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -33.21 -34.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.986 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.503 ' N ' ' O ' ' A' ' 40' ' ' ASP . 51.3 m -43.8 -49.38 8.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.184 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 44' ' ' GLN . 13.2 m -116.18 19.13 15.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.812 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.501 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 5.9 mm100 38.03 48.38 1.06 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.4 m -154.89 171.79 19.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.542 ' CZ3' ' HB2' ' A' ' 39' ' ' PHE . 55.6 m95 -78.12 140.44 39.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 83.3 t -128.69 143.21 41.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -60.88 121.27 11.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.79 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.444 ' NH2' ' OD1' ' A' ' 107' ' ' ASP . 0.0 OUTLIER -109.32 -39.95 5.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.847 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 171.96 112.63 0.28 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.515 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.2 ptt-85 -108.66 148.82 29.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.845 0.355 . . . . 0.0 110.898 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.443 ' N ' ' CE ' ' A' ' 73' ' ' MET . . . 177.19 -111.09 0.32 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.502 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.729 HD11 ' HG2' ' A' ' 31' ' ' GLN . 28.1 tp -127.76 111.12 13.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.834 0.349 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.794 HD12 ' O ' ' A' ' 72' ' ' VAL . 5.5 tp -92.65 143.93 25.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.507 ' HG2' ' CG2' ' A' ' 72' ' ' VAL . 10.4 ptt-85 -149.16 156.89 42.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.984 HD22 ' HB1' ' A' ' 131' ' ' ALA . 2.8 tp -112.99 106.77 15.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 34.5 p-10 -95.17 155.72 16.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.444 ' OD2' ' NH2' ' A' ' 135' ' ' ARG . 33.0 m-20 -122.22 138.51 54.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.5 ' O ' ' N ' ' A' ' 68' ' ' GLN . 20.6 ptt? -140.26 155.52 46.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.32 153.34 29.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.467 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -87.78 150.12 23.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.806 -179.79 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.8 t -98.75 -45.39 6.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.069 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -89.53 -8.56 52.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.514 ' HB3' HG22 ' A' ' 66' ' ' THR . 4.2 t0 -122.73 -19.85 6.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.467 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 59.97 7.59 6.91 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.478 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.514 HG22 ' HB3' ' A' ' 64' ' ' ASP . 8.8 t -96.91 175.04 6.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.819 0.343 . . . . 0.0 111.144 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.614 ' C ' HD13 ' A' ' 67' ' ' LEU . 2.7 tm? -66.98 105.08 1.53 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 59' ' ' MET . 5.0 mm-40 -92.7 161.24 14.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.49 ' CB ' HD12 ' A' ' 87' ' ' LEU . 14.7 m -128.09 161.6 28.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.4 ttm180 -152.06 144.54 24.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.438 ' CD1' HD21 ' A' ' 87' ' ' LEU . 8.8 mt -94.61 153.31 17.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.794 ' O ' HD12 ' A' ' 54' ' ' LEU . 0.9 OUTLIER -154.68 152.11 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.103 179.817 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.474 ' O ' HD13 ' A' ' 82' ' ' ILE . 8.9 tpt -155.35 106.36 2.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.867 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.435 ' HG3' ' NH1' ' A' ' 55' ' ' ARG . 44.8 mtm180 -97.17 140.72 31.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.492 HG23 HD12 ' A' ' 82' ' ' ILE . 18.9 p -79.0 156.19 28.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -78.06 157.86 29.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.74 -60.75 4.35 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.416 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 80' ' ' ARG . 34.4 t -117.48 119.54 35.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.924 0.392 . . . . 0.0 110.884 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.73 75.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 78' ' ' SER . 15.0 ttt180 -117.34 139.61 50.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.698 HD11 ' O ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -98.88 134.83 41.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.626 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -126.38 -26.23 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.089 179.854 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.698 ' O ' HD11 ' A' ' 81' ' ' LEU . 6.3 tp -124.75 121.91 35.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -152.95 105.04 2.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.6 t -144.26 147.58 33.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.083 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.453 ' HG3' ' CE ' ' A' ' 59' ' ' MET . 2.8 ttpm? -88.67 117.16 27.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.776 HD23 ' HE2' ' A' ' 91' ' ' MET . 6.5 mt -56.65 144.73 31.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.568 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 40.7 p90 -126.85 163.1 24.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.34 -43.21 92.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.063 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.568 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 32.4 mm-40 -82.87 32.78 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.958 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.776 ' HE2' HD23 ' A' ' 87' ' ' LEU . 8.0 tpp -76.36 145.64 39.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -104.29 103.83 13.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 3.1 tt -142.71 115.21 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -125.82 144.12 50.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.571 ' HD3' ' CD2' ' A' ' 129' ' ' TYR . 9.3 tptm -79.7 92.72 5.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.18 -45.88 91.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.089 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.2 t -151.29 -178.65 6.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -84.89 -2.92 58.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.4 mtmt -129.6 -1.0 4.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 79.4 p -140.15 152.16 45.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.869 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.565 ' O ' HD12 ' A' ' 117' ' ' LEU . 5.7 mt -138.28 152.73 25.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.128 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -120.19 102.96 8.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.49 ' C ' HD12 ' A' ' 103' ' ' ILE . 1.0 OUTLIER -122.06 146.03 27.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 41.6 p -104.1 125.48 50.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.09 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -139.2 159.6 41.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.068 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.72 ' HG3' HG22 ' A' ' 113' ' ' VAL . 6.1 mtt -83.67 169.81 14.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.444 ' OD1' ' NH2' ' A' ' 49' ' ' ARG . 6.4 t70 -106.49 167.0 10.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 67.5 p -89.71 -38.65 13.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.165 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -98.24 -58.49 1.96 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -67.26 -12.11 59.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 38.87 49.0 1.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -131.96 148.76 19.19 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.478 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.72 HG22 ' HG3' ' A' ' 106' ' ' MET . 82.6 t -83.79 110.68 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 111.126 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -119.46 159.51 24.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 97.6 t -81.34 108.76 14.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.174 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -95.85 169.81 9.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.565 HD12 ' O ' ' A' ' 101' ' ' ILE . 5.7 tp -133.77 154.19 51.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.586 HG23 ' SG ' ' A' ' 34' ' ' CYS . 67.2 mt -127.52 110.11 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 23.2 t -103.81 115.32 30.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -150.63 171.16 17.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.159 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 123' ' ' LYS . 6.0 t -61.9 140.2 58.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.841 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 121' ' ' SER . 5.2 p -35.8 -31.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 121' ' ' SER . 21.8 tptm -76.0 -60.89 2.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -53.37 -52.14 60.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 90.9 m -41.21 -50.6 3.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -57.56 -44.81 93.7 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.457 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -59.54 -61.61 2.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.853 0.359 . . . . 0.0 110.937 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.589 ' CD1' HD11 ' A' ' 132' ' ' LEU . 0.5 OUTLIER -49.29 -61.36 2.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.571 ' CD2' ' HD3' ' A' ' 95' ' ' LYS . 61.9 t80 -53.32 -51.23 63.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.51 -22.21 12.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.145 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.984 ' HB1' HD22 ' A' ' 56' ' ' LEU . . . -85.7 -57.73 2.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.589 HD11 ' CD1' ' A' ' 128' ' ' LEU . 30.3 mt -49.13 -64.77 0.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 132' ' ' LEU . 6.0 t-80 -36.21 -64.81 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.494 ' O ' ' N ' ' A' ' 136' ' ' ILE . 5.4 t-80 -47.74 -59.16 3.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.935 ' HE ' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -37.95 -27.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 -179.855 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.559 HD12 ' O ' ' A' ' 132' ' ' LEU . 3.8 mp -92.27 -48.1 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 59.2 mt -46.89 -29.82 2.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.922 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -74.49 -39.06 62.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.8 mt -69.83 -55.63 9.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.994 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -50.66 -22.57 2.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 13.1 t -77.6 -38.83 47.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.896 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' ARG . . . . . 0.454 ' NH1' ' OD1' ' A' ' 64' ' ' ASP . 4.4 mtp-105 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.402 ' O ' ' OD1' ' A' ' 57' ' ' ASN . 3.3 t . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.869 0.366 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -136.54 107.53 6.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 1.038 HG11 HD23 ' A' ' 56' ' ' LEU . 6.3 p -79.44 -33.71 15.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.118 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.737 ' O ' HD12 ' A' ' 30' ' ' LEU . 3.3 pp -166.85 128.17 1.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 1.067 ' CG ' HD11 ' A' ' 53' ' ' LEU . 25.9 tt0 -120.01 140.16 51.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -162.8 141.41 8.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -71.95 131.31 42.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.988 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.8 t -150.5 179.25 8.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -113.54 157.51 21.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.7 tp -132.54 128.08 36.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.955 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -123.76 129.41 51.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.475 HG13 ' O ' ' A' ' 38' ' ' VAL . 3.9 p -111.89 126.11 69.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.094 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -72.62 111.48 7.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.941 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 42' ' ' THR . 2.5 m-20 -97.52 101.71 13.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -41.59 -24.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 40' ' ' ASP . 48.4 m -62.75 -44.96 94.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.9 m -96.39 -23.7 16.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 67.8 36.38 3.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.937 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t -156.1 170.16 22.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.543 ' CZ2' HD13 ' A' ' 117' ' ' LEU . 80.9 m95 -71.51 104.96 3.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 92.1 t -103.51 140.18 22.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.117 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -64.4 128.94 37.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.432 ' CZ ' ' HB ' ' A' ' 82' ' ' ILE . 0.6 OUTLIER -110.28 -37.32 5.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.788 -179.905 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 171.57 112.76 0.28 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.421 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.79 147.82 29.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.899 0.38 . . . . 0.0 110.814 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.413 ' N ' ' CE ' ' A' ' 73' ' ' MET . . . 165.55 -121.22 0.98 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.425 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.067 HD11 ' CG ' ' A' ' 31' ' ' GLN . 47.5 tp -98.09 146.88 25.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.807 0.337 . . . . 0.0 110.9 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.448 HD12 ' O ' ' A' ' 72' ' ' VAL . 4.6 tp -143.87 127.49 17.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.29 150.78 30.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.802 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 1.038 HD23 HG11 ' A' ' 29' ' ' VAL . 3.1 tp -89.43 114.08 25.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.94 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 27' ' ' SER . 4.6 t-20 -91.94 127.3 37.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -95.53 126.89 41.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.503 ' O ' ' N ' ' A' ' 68' ' ' GLN . 17.7 ptt? -136.1 151.13 49.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.75 154.69 31.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.48 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -89.7 157.61 17.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.835 -179.772 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.46 -54.58 3.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.056 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -84.83 -8.94 58.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.856 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.447 ' OD1' ' NH2' ' A' ' 142' ' ' ARG . 68.3 m-20 -119.59 -18.99 8.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.833 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.48 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 53.8 13.07 2.96 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.418 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.8 t -97.79 174.98 6.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.8 0.333 . . . . 0.0 111.147 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.485 ' C ' HD13 ' A' ' 67' ' ' LEU . 2.7 tm? -70.15 99.91 1.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 59' ' ' MET . 7.4 mm-40 -89.38 171.08 10.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 68.4 m -152.26 165.64 34.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -153.62 169.67 22.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.659 HD13 HD13 ' A' ' 103' ' ' ILE . 6.4 mt -107.79 113.33 26.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.448 ' O ' HD12 ' A' ' 54' ' ' LEU . 2.3 t -115.09 145.55 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.57 ' HG3' HD11 ' A' ' 82' ' ' ILE . 13.8 tpt -145.38 123.01 11.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 51.8 mtt-85 -111.16 132.11 54.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.832 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.1 p -71.46 161.05 31.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -90.01 146.15 24.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.79 -57.57 3.04 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.484 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.2 m -83.05 -23.47 33.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.939 0.4 . . . . 0.0 110.886 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 45.01 52.7 8.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.77 125.77 53.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.704 HD11 ' O ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -61.0 133.77 56.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.909 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.704 ' H ' HD13 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -127.77 -27.61 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.818 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.704 ' O ' HD11 ' A' ' 81' ' ' LEU . 4.0 tp -125.83 132.61 52.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.638 ' OD1' HG22 ' A' ' 108' ' ' THR . 1.0 OUTLIER -162.83 106.55 1.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.561 HG21 ' HB1' ' A' ' 105' ' ' ALA . 10.8 t -144.87 146.45 32.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.435 ' HD2' ' NE2' ' A' ' 68' ' ' GLN . 23.1 ttpt -88.81 118.42 28.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.709 HD23 ' CE ' ' A' ' 91' ' ' MET . 7.6 mt -56.65 148.22 20.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.551 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 43.2 p90 -129.98 162.83 27.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.823 ' HB1' ' HA ' ' A' ' 140' ' ' ARG . . . -55.72 -46.1 77.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.139 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.551 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 59.9 mm-40 -82.62 32.01 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.926 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.709 ' CE ' HD23 ' A' ' 87' ' ' LEU . 2.5 tpp -72.8 144.26 47.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.827 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -107.5 110.44 22.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.9 tt -145.18 122.58 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -137.89 141.16 40.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.884 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.549 ' HE3' HG22 ' A' ' 125' ' ' THR . 11.5 tptm -79.95 96.75 6.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.913 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.65 -42.84 77.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.053 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.5 t -147.21 165.28 30.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.88 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.16 -19.67 65.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 26.0 mttp -120.26 14.9 12.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.1 p -148.43 147.6 29.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.774 HD11 HG23 ' A' ' 125' ' ' THR . 6.1 mt -139.81 146.04 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.419 ' CD2' ' CD1' ' A' ' 117' ' ' LEU . 11.3 m170 -116.5 110.67 18.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.659 HD13 HD13 ' A' ' 71' ' ' LEU . 1.3 pp -127.17 147.12 32.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.066 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.402 ' O ' ' HE1' ' A' ' 91' ' ' MET . 7.9 p -98.82 120.48 39.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.561 ' HB1' HG21 ' A' ' 85' ' ' THR . . . -138.73 166.22 24.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.039 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.719 ' HG3' HG22 ' A' ' 113' ' ' VAL . 14.8 mtt -93.07 164.51 13.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -103.11 161.71 13.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.822 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.638 HG22 ' OD1' ' A' ' 84' ' ' ASN . 76.2 p -87.13 -36.71 17.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -101.04 -53.12 3.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -64.19 -13.48 49.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 40.85 49.6 2.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -140.34 153.45 23.49 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.428 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.719 HG22 ' HG3' ' A' ' 106' ' ' MET . 42.4 t -81.86 95.46 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.938 0.399 . . . . 0.0 111.118 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.593 ' HG3' ' CE1' ' A' ' 116' ' ' PHE . 1.5 ptpm? -112.0 146.85 37.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.416 ' O ' HG13 ' A' ' 115' ' ' VAL . 4.0 p -87.43 117.67 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.144 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.593 ' CE1' ' HG3' ' A' ' 114' ' ' LYS . 86.5 m-85 -96.74 177.65 5.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.543 HD13 ' CZ2' ' A' ' 46' ' ' TRP . 3.7 tp -129.45 151.29 50.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.919 HD13 HD21 ' A' ' 128' ' ' LEU . 7.6 mt -133.14 101.92 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.118 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.8 t -95.64 113.11 24.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.988 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -140.62 160.97 38.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.04 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 122' ' ' SER . 74.7 m -52.53 151.73 4.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 121' ' ' SER . 99.4 p -35.48 -47.41 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.831 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -75.13 -59.82 2.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.933 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.617 ' HB3' ' HB1' ' A' ' 120' ' ' ALA . 3.6 m-20 -38.68 -51.79 1.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.774 HG23 HD11 ' A' ' 101' ' ' ILE . 89.5 m -54.75 -58.65 6.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -44.87 -43.9 8.5 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.542 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -53.61 -68.05 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.795 0.331 . . . . 0.0 110.835 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.919 HD21 HD13 ' A' ' 118' ' ' ILE . 9.0 tp -50.32 -63.58 1.08 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 95' ' ' LYS . 38.8 t80 -44.96 -58.11 3.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.966 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -50.76 -27.39 7.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.08 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 128' ' ' LEU . . . -76.83 -65.34 0.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 135' ' ' ARG . 20.6 mt -41.52 -66.0 0.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.967 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.473 ' C ' ' O ' ' A' ' 132' ' ' LEU . 10.6 t-160 -31.27 -65.41 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -51.79 -42.76 62.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.577 ' NE ' HD21 ' A' ' 56' ' ' LEU . 15.5 mmt180 -59.19 -30.35 68.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.495 ' N ' HD13 ' A' ' 136' ' ' ILE . 3.0 mm -76.79 -45.19 32.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.039 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.482 ' HA ' ' CG ' ' A' ' 140' ' ' ARG . 34.1 mt -46.74 -46.68 20.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.959 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -56.58 -32.85 65.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.149 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.8 mt -80.74 -66.89 0.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.823 ' HA ' ' HB1' ' A' ' 89' ' ' ALA . 4.0 ptm180 -42.03 -27.19 0.12 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.9 t -67.82 -42.17 81.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' ARG . . . . . 0.486 ' CZ ' ' HB3' ' A' ' 142' ' ' ARG . 10.8 mtp-105 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.829 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 35.0 m . . . . . 0 N--CA 1.457 -0.102 0 CA-C-O 120.832 0.349 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -103.28 86.22 2.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.509 HG21 HD23 ' A' ' 56' ' ' LEU . 91.7 t -38.43 -75.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.575 ' O ' HD12 ' A' ' 30' ' ' LEU . 4.0 pp -140.41 136.3 32.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.835 ' CG ' HD11 ' A' ' 53' ' ' LEU . 31.9 tt0 -117.65 132.78 56.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.958 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.446 ' CE ' HD23 ' A' ' 128' ' ' LEU . 4.0 ptm -159.27 143.76 15.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -74.72 123.85 25.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.957 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.8 t -141.83 176.16 9.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.568 ' HE3' ' CE1' ' A' ' 37' ' ' PHE . 28.1 tttp -114.97 146.45 41.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.7 tp -120.56 130.4 54.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.812 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.568 ' CE1' ' HE3' ' A' ' 35' ' ' LYS . 87.0 m-85 -121.18 137.29 54.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.95 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.599 HG23 ' CE1' ' A' ' 116' ' ' PHE . 5.5 p -115.1 120.88 65.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.478 ' CZ ' ' HA ' ' A' ' 44' ' ' GLN . 20.9 t80 -87.71 116.91 26.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 42' ' ' THR . 5.8 t0 -98.96 101.19 12.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.826 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.7 tttm -39.09 -29.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.934 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 40' ' ' ASP . 36.3 m -58.89 -47.09 86.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.124 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.0 t -92.03 -26.33 18.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.86 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.478 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 7.0 mm100 67.36 37.3 3.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.923 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.1 t -147.0 167.37 24.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.578 ' CH2' ' HB2' ' A' ' 117' ' ' LEU . 44.0 m95 -82.29 99.57 9.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.948 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 91.7 t -97.03 135.79 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.166 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -66.83 133.44 50.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.7 tpp180 -109.03 -48.9 3.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -177.86 127.54 1.19 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.519 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -116.6 148.88 40.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.858 0.361 . . . . 0.0 110.824 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 166.37 -118.05 0.78 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.538 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.835 HD11 ' CG ' ' A' ' 31' ' ' GLN . 51.7 tp -107.22 141.34 38.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.815 0.34 . . . . 0.0 110.962 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.426 HD12 ' O ' ' A' ' 72' ' ' VAL . 3.9 tp -137.96 131.57 31.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.977 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.659 ' NH2' HG12 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -151.55 154.06 35.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.622 HD21 ' CZ ' ' A' ' 135' ' ' ARG . 7.0 tp -95.55 115.21 27.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -101.45 137.5 39.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.911 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 59' ' ' MET . 0.8 OUTLIER -94.92 140.01 30.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.507 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 22.5 ptt? -147.68 149.24 32.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.65 150.95 30.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.099 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.481 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.6 OUTLIER -82.87 156.81 23.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.783 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.95 -46.64 5.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.092 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -90.64 -8.54 49.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.813 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -122.77 -17.57 6.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.481 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 53.33 16.54 4.93 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.444 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.4 t -102.74 173.86 6.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.809 0.337 . . . . 0.0 111.12 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.526 ' C ' HD13 ' A' ' 67' ' ' LEU . 1.9 tm? -65.11 100.37 0.43 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.567 HE22 ' HD3' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -90.6 170.65 9.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.891 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.475 ' HB3' HD12 ' A' ' 87' ' ' LEU . 68.5 m -149.8 144.28 25.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 32.2 ptt180 -142.34 151.51 42.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.449 HD13 HD13 ' A' ' 103' ' ' ILE . 8.4 mt -94.35 121.92 36.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.792 HG13 HD21 ' A' ' 81' ' ' LEU . 3.4 t -117.48 141.35 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.441 ' HG3' HD11 ' A' ' 82' ' ' ILE . 11.0 tpt -142.19 128.93 20.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.434 ' HG2' HD22 ' A' ' 81' ' ' LEU . 45.4 mtm180 -122.37 128.34 50.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.466 HG23 HD12 ' A' ' 82' ' ' ILE . 6.9 p -72.58 142.11 48.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -20.84 66.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -56.27 -78.08 0.13 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 79' ' ' LEU . 3.2 t -126.28 44.06 2.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.927 0.394 . . . . 0.0 110.895 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 78' ' ' SER . 38.2 mt 36.84 38.18 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 49.0 ttt85 -85.51 142.08 29.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.792 HD21 HG13 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -89.21 134.0 34.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.545 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -126.25 -24.47 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.833 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.437 ' O ' HD11 ' A' ' 81' ' ' LEU . 6.4 tp -126.14 107.39 10.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -134.91 69.84 1.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.42 HG21 ' HB1' ' A' ' 105' ' ' ALA . 7.3 t -110.16 152.57 25.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.567 ' HD3' HE22 ' A' ' 68' ' ' GLN . 5.9 tmmm? -100.2 124.98 46.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.627 HD23 ' HE2' ' A' ' 91' ' ' MET . 41.8 mt -56.8 141.4 44.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.568 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 46.1 p90 -127.39 154.95 44.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.96 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.401 ' HB1' ' HA ' ' A' ' 140' ' ' ARG . . . -48.1 -49.83 30.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.135 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.568 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 89.4 mm-40 -80.33 31.18 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.627 ' HE2' HD23 ' A' ' 87' ' ' LEU . 3.1 tpp -73.35 142.65 47.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -105.31 119.36 38.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.922 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.45 HD12 HD23 ' A' ' 132' ' ' LEU . 1.3 tt -151.99 117.22 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.155 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -134.04 139.2 45.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.507 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 12.1 tptm -75.89 98.51 4.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.26 -48.14 71.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.123 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.1 m -142.64 -175.29 4.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.743 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -76.6 -39.17 53.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.47 26.42 9.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.7 m -159.12 152.22 22.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.819 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.485 HD12 HD11 ' A' ' 128' ' ' LEU . 6.8 mt -140.08 158.02 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.179 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -119.34 100.7 7.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.559 ' C ' HD12 ' A' ' 103' ' ' ILE . 1.1 pp -120.71 140.77 43.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.095 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.404 ' O ' ' HE1' ' A' ' 91' ' ' MET . 37.2 p -96.65 123.46 40.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.425 ' HB3' ' CD2' ' A' ' 116' ' ' PHE . . . -134.11 170.85 15.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.533 ' HG3' HG22 ' A' ' 113' ' ' VAL . 35.2 mtt -107.2 153.16 23.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -88.32 166.42 14.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.856 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 69.1 p -87.5 -38.1 16.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -94.88 -55.94 2.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -68.17 -16.65 64.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 40.31 46.07 1.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -128.02 149.97 18.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.557 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.533 HG22 ' HG3' ' A' ' 106' ' ' MET . 60.7 t -84.84 117.77 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.903 0.383 . . . . 0.0 111.151 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.455 ' HD2' ' CZ ' ' A' ' 116' ' ' PHE . 7.2 ptpt -128.0 174.1 9.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 83.7 t -93.95 109.99 22.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.599 ' CE1' HG23 ' A' ' 38' ' ' VAL . 49.3 m-85 -98.55 171.79 7.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.974 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.578 ' HB2' ' CH2' ' A' ' 46' ' ' TRP . 3.7 tp -137.08 155.02 50.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.63 HG22 ' SG ' ' A' ' 34' ' ' CYS . 10.1 mt -134.49 101.13 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.16 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 41.7 t -92.32 111.03 22.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.78 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.957 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -137.26 177.58 7.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.084 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 122' ' ' SER . 2.9 m -61.92 145.06 54.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 121' ' ' SER . 67.1 p -37.77 -36.13 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.793 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.2 -58.15 2.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -44.39 -54.44 5.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.849 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 73.6 m -43.44 -42.04 4.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -68.82 -35.02 78.78 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.48 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -58.87 -68.32 0.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.817 0.341 . . . . 0.0 110.936 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.485 HD11 HD12 ' A' ' 101' ' ' ILE . 1.1 pp -53.34 -39.54 64.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.507 ' CZ ' ' HB2' ' A' ' 95' ' ' LYS . 18.6 t80 -59.69 -57.66 11.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -49.53 -41.33 40.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.067 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 132' ' ' LEU . . . -62.91 -66.34 0.56 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.121 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.484 ' O ' ' C ' ' A' ' 133' ' ' HIS . 9.2 mp -36.75 -67.7 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.484 ' C ' ' O ' ' A' ' 132' ' ' LEU . 2.4 t-160 -31.64 -67.15 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.825 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 135' ' ' ARG . 55.6 t60 -47.69 -57.86 5.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.861 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.622 ' CZ ' HD21 ' A' ' 56' ' ' LEU . 7.7 mmm180 -35.89 -36.98 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.434 HG12 ' HB3' ' A' ' 91' ' ' MET . 4.1 mp -85.59 -48.22 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 56.0 mt -45.08 -29.58 0.92 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.965 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -75.93 -36.38 59.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.052 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.7 mt -73.28 -56.51 4.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.935 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.401 ' HA ' ' HB1' ' A' ' 89' ' ' ALA . 5.7 ptm180 -47.83 -24.26 0.95 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 29.3 t -78.52 -42.56 29.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.824 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 24.0 mtt-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.81 -179.896 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 t . . . . . 0 N--CA 1.458 -0.053 0 CA-C-O 120.888 0.375 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -83.0 110.57 18.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.716 ' HB ' HD23 ' A' ' 56' ' ' LEU . 85.4 t -67.02 -67.39 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.465 ' O ' HD12 ' A' ' 30' ' ' LEU . 4.5 pp -135.7 139.41 43.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.918 ' CG ' HD11 ' A' ' 53' ' ' LEU . 18.7 tt0 -129.3 132.1 47.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.559 ' O ' HD12 ' A' ' 53' ' ' LEU . 5.1 ptt? -158.96 161.01 36.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -85.69 118.69 25.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.908 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.5 t -137.82 177.45 7.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.831 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -118.96 138.32 52.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.3 tp -111.99 121.96 46.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -115.53 140.86 48.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.491 HG23 ' CE1' ' A' ' 116' ' ' PHE . 8.2 p -120.61 130.06 74.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.106 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.497 ' CZ ' ' HA ' ' A' ' 44' ' ' GLN . 20.9 t80 -85.69 131.36 34.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 42' ' ' THR . 7.9 t0 -116.99 104.16 11.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.5 ptpp? -41.71 -24.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 40' ' ' ASP . 76.8 m -63.06 -43.97 97.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.154 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.1 t -101.5 -10.97 19.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.801 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.497 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 4.8 mm-40 54.75 34.42 21.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -148.46 167.94 24.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.519 ' CZ3' ' HB2' ' A' ' 117' ' ' LEU . 97.3 m95 -79.02 111.21 15.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.859 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 90.3 t -104.64 140.86 21.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -52.75 142.13 19.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -123.68 -37.01 2.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 163.06 126.24 0.81 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.443 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.7 ptp180 -117.77 149.95 39.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.82 0.343 . . . . 0.0 110.88 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 170.83 -105.98 0.23 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.55 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.918 HD11 ' CG ' ' A' ' 31' ' ' GLN . 10.8 tp -136.03 118.65 15.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.832 0.349 . . . . 0.0 110.93 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.716 HD12 ' O ' ' A' ' 72' ' ' VAL . 11.0 tp -94.73 142.19 27.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.963 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.629 ' O ' HG22 ' A' ' 72' ' ' VAL . 13.4 ptt180 -151.32 153.5 34.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.716 HD23 ' HB ' ' A' ' 29' ' ' VAL . 3.2 tp -107.47 112.56 25.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -96.12 131.87 42.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.618 ' CG ' HD21 ' A' ' 67' ' ' LEU . 8.2 t0 -97.13 142.56 28.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.478 ' CE ' ' HG3' ' A' ' 86' ' ' LYS . 19.5 ptt? -146.43 155.19 42.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.41 145.99 26.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.456 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -80.81 160.47 24.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.845 -179.786 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.0 -69.7 0.75 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -71.32 -19.76 62.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -104.78 -23.85 12.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.456 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 56.15 10.68 4.05 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.497 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.449 HG21 ' HD2' ' A' ' 142' ' ' ARG . 6.5 t -93.58 172.49 8.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.35 . . . . 0.0 111.181 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.618 HD21 ' CG ' ' A' ' 58' ' ' ASP . 3.4 tm? -65.87 100.08 0.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 59' ' ' MET . 5.9 mm-40 -91.54 165.69 13.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.465 ' C ' HD12 ' A' ' 87' ' ' LEU . 9.5 m -149.16 169.85 19.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.3 ptp85 -158.48 160.45 36.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.478 HD21 HH22 ' A' ' 135' ' ' ARG . 4.9 mt -93.17 155.24 17.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.716 ' O ' HD12 ' A' ' 54' ' ' LEU . 0.9 OUTLIER -153.03 153.69 8.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.819 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.403 ' HB3' ' HB3' ' A' ' 83' ' ' LEU . 8.3 tpt -153.18 113.55 4.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.44 ' NH1' ' NH1' ' A' ' 55' ' ' ARG . 30.3 mtm180 -106.1 129.89 54.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.7 p -74.11 152.61 39.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.101 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -80.39 83.6 6.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -176.74 -71.91 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.498 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.5 m -130.22 39.9 3.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.815 0.34 . . . . 0.0 110.839 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.41 HD22 ' HD2' ' A' ' 74' ' ' ARG . 35.9 mt 39.85 46.9 1.75 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.955 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -85.67 118.19 25.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.556 HD13 ' N ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -80.3 132.8 35.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.556 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -125.96 -22.18 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.828 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.513 ' O ' HD11 ' A' ' 81' ' ' LEU . 11.3 tp -124.84 107.88 11.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -142.0 105.02 4.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.7 t -139.88 156.36 46.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.478 ' HG3' ' CE ' ' A' ' 59' ' ' MET . 23.7 ttpt -97.6 123.09 41.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.84 HD13 ' HB3' ' A' ' 135' ' ' ARG . 1.1 mt -57.91 154.78 11.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.957 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.613 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 48.3 p90 -140.59 150.4 43.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.871 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -46.61 -43.95 17.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.613 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 3.1 mp0 -82.11 24.8 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.522 ' HA ' ' CE2' ' A' ' 88' ' ' TRP . 3.7 tpp -68.26 135.28 51.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -99.11 123.61 43.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.962 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.632 HD12 HD22 ' A' ' 132' ' ' LEU . 1.2 tt -154.42 113.78 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.081 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -128.28 142.99 50.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.828 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -82.46 95.19 7.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.23 -43.92 85.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.089 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.7 t -149.12 171.32 16.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.782 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -75.12 -4.38 38.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 23.8 mtmt -129.36 -2.95 4.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.444 ' OG ' HD21 ' A' ' 117' ' ' LEU . 1.2 t -136.76 146.66 46.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.457 HD11 ' O ' ' A' ' 125' ' ' THR . 54.2 mt -138.24 138.37 43.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.146 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.43 ' CE1' ' CD1' ' A' ' 117' ' ' LEU . 0.4 OUTLIER -102.94 104.44 14.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.816 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.468 ' C ' HD12 ' A' ' 103' ' ' ILE . 0.9 OUTLIER -118.45 143.53 29.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.142 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 10.3 p -98.5 118.34 34.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -136.18 166.96 22.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.135 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.514 ' HG3' HG22 ' A' ' 113' ' ' VAL . 40.2 mtt -98.55 136.43 38.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.488 ' OD2' ' N ' ' A' ' 110' ' ' ASP . 3.9 p-10 -83.84 169.4 15.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.935 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 48.4 p -104.56 -14.82 15.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -86.36 -57.0 3.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.913 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.488 ' N ' ' OD2' ' A' ' 107' ' ' ASP . 23.4 t70 -100.09 8.72 43.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.486 ' N ' ' OD2' ' A' ' 107' ' ' ASP . 11.1 mt-30 34.81 51.6 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.418 ' H ' ' CG ' ' A' ' 107' ' ' ASP . . . -132.11 167.91 22.72 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.487 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.514 HG22 ' HG3' ' A' ' 106' ' ' MET . 58.5 t -96.84 118.8 43.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.875 0.369 . . . . 0.0 111.121 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.418 ' HB3' ' NZ ' ' A' ' 114' ' ' LYS . 1.4 ptpm? -132.76 162.86 30.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.926 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 89.5 t -83.17 112.92 21.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.199 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.491 ' CE1' HG23 ' A' ' 38' ' ' VAL . 58.3 m-85 -99.76 173.91 6.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.519 ' HB2' ' CZ3' ' A' ' 46' ' ' TRP . 3.4 tp -137.24 156.54 48.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.566 HD13 ' CD1' ' A' ' 128' ' ' LEU . 24.9 mt -133.53 107.64 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.162 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.3 t -96.4 109.35 21.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.908 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -139.93 172.79 12.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.058 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 122' ' ' SER . 45.7 t -59.13 144.74 44.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 121' ' ' SER . 5.1 p -37.32 -35.16 0.11 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -86.91 -63.68 1.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 127' ' ' GLN . 24.4 m-20 -40.31 -61.04 0.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.926 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.593 ' HA ' HD21 ' A' ' 128' ' ' LEU . 19.7 m -36.05 -35.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 124' ' ' ASP . . . -73.23 -41.46 46.51 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.422 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 124' ' ' ASP . 6.4 mt-30 -42.72 -69.51 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.853 0.359 . . . . 0.0 110.9 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.911 ' O ' HD12 ' A' ' 132' ' ' LEU . 1.2 pt? -53.08 -40.8 64.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.959 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.507 ' N ' ' HG ' ' A' ' 128' ' ' LEU . 16.7 t80 -53.81 -63.0 1.29 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -48.94 -19.08 0.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.102 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 128' ' ' LEU . . . -88.43 -59.99 2.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.095 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.911 HD12 ' O ' ' A' ' 128' ' ' LEU . 3.6 mp -38.02 -63.82 0.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.536 ' ND1' HD11 ' A' ' 137' ' ' LEU . 2.2 t-160 -34.25 -64.62 0.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.961 ' HA ' HD12 ' A' ' 137' ' ' LEU . 55.4 t60 -47.1 -59.5 3.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.84 ' HB3' HD13 ' A' ' 87' ' ' LEU . 46.1 mtm180 -36.01 -30.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.527 ' N ' HD12 ' A' ' 136' ' ' ILE . 3.6 mp -94.28 -46.88 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.106 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.961 HD12 ' HA ' ' A' ' 134' ' ' HIS . 5.8 mt -50.94 -33.12 23.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -69.36 -24.89 63.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.14 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.1 mt -90.21 -55.73 3.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.477 ' CG ' ' HA ' ' A' ' 137' ' ' LEU . 2.7 ptp180 -57.58 -19.09 23.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 47.1 t -75.43 -35.16 61.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' ARG . . . . . 0.484 ' CZ ' ' HB3' ' A' ' 142' ' ' ARG . 5.3 mtp-105 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.934 0.397 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -126.92 88.1 2.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.504 ' HB ' HD23 ' A' ' 56' ' ' LEU . 76.9 t -47.99 -60.7 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.086 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 pp -151.86 140.58 20.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.868 ' CG ' HD11 ' A' ' 53' ' ' LEU . 31.0 tt0 -117.96 138.53 52.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.6 ptm -161.31 130.46 4.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -67.72 130.53 43.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.726 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 2.2 t -151.04 177.23 10.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -114.86 162.63 16.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.432 HD23 ' HD2' ' A' ' 49' ' ' ARG . 11.0 tp -128.65 121.25 28.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.962 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -116.21 117.43 30.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.7 p -104.68 137.88 31.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.077 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.429 ' CZ ' ' HA ' ' A' ' 44' ' ' GLN . 10.8 t80 -85.35 132.68 34.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 42' ' ' THR . 4.6 m-20 -121.16 104.4 9.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 40' ' ' ASP . 2.8 ptpp? -37.88 -27.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.828 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.492 ' N ' ' O ' ' A' ' 40' ' ' ASP . 36.4 m -60.29 -49.5 77.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.18 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.5 t -91.93 -24.48 19.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.429 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 5.3 mm-40 66.61 36.01 5.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.9 m -161.38 -178.44 6.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.518 ' CH2' ' HB2' ' A' ' 117' ' ' LEU . 68.6 m95 -72.36 113.8 9.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 71.1 t -109.83 135.96 47.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.075 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.413 ' HG3' ' NH2' ' A' ' 51' ' ' ARG . 7.1 tm-20 -52.15 132.05 32.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.432 ' HD2' HD23 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -120.73 -31.18 4.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.839 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 158.81 132.98 1.45 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.506 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.413 ' NH2' ' HG3' ' A' ' 48' ' ' GLU . 1.5 ptp85 -120.8 141.29 50.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.764 0.316 . . . . 0.0 110.928 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.12 -134.66 3.18 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.488 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.868 HD11 ' CG ' ' A' ' 31' ' ' GLN . 43.9 tp -96.44 148.72 22.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.809 0.338 . . . . 0.0 110.924 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.541 HD12 ' O ' ' A' ' 72' ' ' VAL . 4.6 tp -142.89 133.32 24.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.565 ' NH2' HG12 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -151.33 155.38 38.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 1.006 HD22 ' HB1' ' A' ' 131' ' ' ALA . 3.3 tp -91.64 110.86 22.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -92.44 142.65 27.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -108.49 138.79 44.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.496 ' O ' ' N ' ' A' ' 68' ' ' GLN . 21.7 ptt? -150.14 152.54 34.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -83.21 157.36 22.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.476 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -88.34 157.66 18.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 -179.759 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.7 -47.87 5.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.157 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -90.32 -9.59 47.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.878 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.411 ' HB2' HG22 ' A' ' 66' ' ' THR . 2.4 m-20 -121.59 -14.56 8.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.476 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 50.07 16.22 1.25 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.451 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.411 HG22 ' HB2' ' A' ' 64' ' ' ASP . 12.0 t -99.25 174.61 6.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.878 0.37 . . . . 0.0 111.122 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.417 ' C ' HD13 ' A' ' 67' ' ' LEU . 2.5 tm? -68.3 99.9 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.587 HE22 ' HD3' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -87.95 170.79 10.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.902 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.9 m -155.76 150.51 26.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.808 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.426 ' CB ' ' HA ' ' A' ' 86' ' ' LYS . 1.9 ptp180 -146.26 163.06 36.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.845 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.998 HD21 HD21 ' A' ' 132' ' ' LEU . 7.0 mt -102.48 121.78 43.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.671 HG22 ' OD1' ' A' ' 84' ' ' ASN . 3.2 t -117.45 142.22 32.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.616 ' HB2' HD23 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -144.95 124.4 13.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.848 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.477 ' N ' ' SD ' ' A' ' 73' ' ' MET . 83.3 mtt180 -122.04 127.94 50.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.88 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.2 p -68.59 152.0 45.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.17 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.451 ' CD ' ' O ' ' A' ' 76' ' ' GLN . 0.0 OUTLIER -78.45 132.12 37.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 128.98 -69.23 0.53 Allowed Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.478 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.6 p -128.03 28.72 5.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.921 0.391 . . . . 0.0 110.872 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.408 HD22 ' HD2' ' A' ' 74' ' ' ARG . 42.9 mt 37.7 53.31 1.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -85.38 102.12 13.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.833 HD13 ' N ' ' A' ' 82' ' ' ILE . 0.5 OUTLIER -58.72 134.04 56.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.833 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -129.24 -30.29 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.092 179.9 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.616 HD23 ' HB2' ' A' ' 73' ' ' MET . 3.8 tp -122.83 130.94 53.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.959 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.671 ' OD1' HG22 ' A' ' 72' ' ' VAL . 15.5 m-20 -163.38 105.82 0.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.2 t -147.25 141.26 25.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.587 ' HD3' HE22 ' A' ' 68' ' ' GLN . 3.8 tmmm? -82.87 128.98 34.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.723 HD23 ' CE ' ' A' ' 91' ' ' MET . 27.6 mt -61.21 136.36 58.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.945 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.556 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 42.1 p90 -116.32 160.51 20.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.992 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.67 -45.33 70.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.112 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.556 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 27.1 mm-40 -83.93 32.31 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.958 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.723 ' CE ' HD23 ' A' ' 87' ' ' LEU . 1.1 tpp -68.7 138.59 55.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -106.2 111.46 24.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.9 tt -145.84 116.98 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.076 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -125.68 144.56 50.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 11.1 tptm -86.43 95.43 9.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.02 -38.38 90.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.104 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.4 t -160.75 172.6 16.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -77.41 -0.27 25.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 51.5 mttt -121.06 -27.78 4.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 80.2 p -122.7 154.4 38.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.828 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.453 HD13 ' HB2' ' A' ' 129' ' ' TYR . 7.2 mt -138.71 144.84 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.12 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.689 ' CD2' HD12 ' A' ' 117' ' ' LEU . 11.2 m170 -111.28 109.65 19.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.802 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.533 ' C ' HD12 ' A' ' 103' ' ' ILE . 1.2 pp -125.9 143.39 39.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.073 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 35.6 p -98.76 126.69 44.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.19 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -140.09 167.64 21.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.794 ' HG3' HG22 ' A' ' 113' ' ' VAL . 10.0 mtt -95.06 161.93 13.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -96.8 171.51 8.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 72.1 p -93.45 -37.06 12.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -100.18 -54.99 2.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -65.0 -13.06 56.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 40.92 45.01 2.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -137.4 150.7 20.85 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.561 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.794 HG22 ' HG3' ' A' ' 106' ' ' MET . 43.6 t -81.34 138.47 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.961 0.41 . . . . 0.0 111.109 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -144.0 176.65 9.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 45.4 t -94.12 102.67 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.062 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -95.86 136.75 35.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.689 HD12 ' CD2' ' A' ' 102' ' ' HIS . 4.8 tp -101.08 155.27 18.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.593 HD13 ' CD2' ' A' ' 128' ' ' LEU . 57.5 mt -129.79 102.83 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.193 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 46.7 t -94.05 104.53 16.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.726 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -134.07 174.77 10.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.098 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 122' ' ' SER . 47.7 t -69.91 141.67 53.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.803 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 121' ' ' SER . 5.5 p -35.97 -35.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 121' ' ' SER . 52.0 tptt -79.85 -60.22 2.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.858 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 125' ' ' THR . 69.9 m-20 -50.96 -53.78 30.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.429 HG23 HD11 ' A' ' 101' ' ' ILE . 47.2 m -36.83 -52.22 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -55.58 -54.96 31.19 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.52 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -40.76 -69.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 110.94 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.593 ' CD2' HD13 ' A' ' 118' ' ' ILE . 30.8 tp -47.75 -66.95 0.32 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 95' ' ' LYS . 37.9 t80 -35.94 -59.5 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -47.79 -42.68 26.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.109 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 1.006 ' HB1' HD22 ' A' ' 56' ' ' LEU . . . -61.88 -69.53 0.24 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.09 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.998 HD21 HD21 ' A' ' 71' ' ' LEU . 11.0 mp -45.43 -69.08 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.452 ' C ' ' O ' ' A' ' 132' ' ' LEU . 11.9 t-80 -34.3 -55.82 0.51 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 135' ' ' ARG . 13.3 t-80 -55.59 -58.89 5.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.947 ' HE ' HD21 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -37.93 -42.32 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 -179.899 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.611 HD11 HD22 ' A' ' 87' ' ' LEU . 2.9 mm -64.69 -53.7 38.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 36.6 mt -38.74 -40.28 0.59 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -67.28 -39.35 86.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.102 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 136' ' ' ILE . 4.6 mt -71.11 -55.73 7.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -42.03 -40.16 2.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 33.3 t -56.04 -41.86 75.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 27.1 mtp85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 -179.92 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.2 m . . . . . 0 C--O 1.23 0.04 0 CA-C-O 120.818 0.342 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -130.47 114.41 15.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.0 t -68.09 -66.58 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.109 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.492 HD11 ' HA ' ' A' ' 128' ' ' LEU . 4.5 pp -138.63 140.44 38.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.839 ' CG ' HD11 ' A' ' 53' ' ' LEU . 25.1 tt0 -126.47 134.87 50.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.82 ' CE ' HD23 ' A' ' 128' ' ' LEU . 4.1 ptm -161.27 142.43 11.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -70.44 122.31 19.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.721 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.8 t -139.17 177.89 7.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -116.64 159.57 22.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.587 HD21 ' CD2' ' A' ' 116' ' ' PHE . 5.2 tp -130.49 135.09 47.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -135.35 135.69 40.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.56 ' CG1' ' CE2' ' A' ' 116' ' ' PHE . 31.3 m -121.59 150.25 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -87.34 134.34 33.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.838 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.48 ' O ' ' C ' ' A' ' 41' ' ' LYS . 1.4 t0 -122.96 93.14 3.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.48 ' C ' ' O ' ' A' ' 40' ' ' ASP . 3.6 ttmm -31.38 -38.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 40' ' ' ASP . 9.9 m -54.51 -51.75 64.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 40' ' ' ASP . 8.7 t -85.75 -26.26 25.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 65.97 38.6 4.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 34.1 m -164.61 174.77 10.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 63.8 m95 -71.35 125.68 27.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 76.7 t -118.7 135.12 60.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.064 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -62.62 121.82 14.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -103.19 -37.42 7.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 169.06 118.1 0.43 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.486 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -111.7 137.69 49.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.798 0.333 . . . . 0.0 110.885 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.568 ' H ' ' HE1' ' A' ' 73' ' ' MET . . . 177.76 -127.27 1.16 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.421 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.839 HD11 ' CG ' ' A' ' 31' ' ' GLN . 57.4 tp -98.42 134.88 40.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.342 . . . . 0.0 110.989 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.64 HD12 ' O ' ' A' ' 72' ' ' VAL . 4.4 tp -131.94 134.77 46.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.27 153.02 34.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.711 HD21 ' HD2' ' A' ' 135' ' ' ARG . 5.2 tp -96.4 108.21 20.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -92.51 143.68 26.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.823 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -111.44 126.67 55.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.495 ' O ' ' N ' ' A' ' 68' ' ' GLN . 11.7 ptt? -128.44 161.08 30.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.33 147.66 25.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.062 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.473 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.5 OUTLIER -83.63 156.07 22.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.882 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.88 -51.44 3.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.145 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -86.25 -10.37 54.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.808 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -119.63 -17.34 8.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.473 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 52.61 14.07 2.29 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.49 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.1 t -99.17 174.66 6.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.821 0.343 . . . . 0.0 111.129 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.449 ' C ' HD13 ' A' ' 67' ' ' LEU . 2.4 tm? -68.43 99.49 0.96 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 59' ' ' MET . 6.6 mm-40 -88.67 171.03 10.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.2 m -151.18 164.79 35.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -155.79 163.36 39.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.939 HD21 HD11 ' A' ' 132' ' ' LEU . 9.7 mt -104.44 119.35 38.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.959 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.64 ' O ' HD12 ' A' ' 54' ' ' LEU . 2.3 t -120.9 146.56 25.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.11 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.568 ' HE1' ' H ' ' A' ' 52' ' ' GLY . 12.2 tpt -149.21 114.27 5.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.8 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.445 ' CZ ' HD12 ' A' ' 79' ' ' LEU . 42.7 mtp180 -105.7 130.72 53.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.562 HG23 HD12 ' A' ' 82' ' ' ILE . 12.9 p -68.23 155.64 39.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.083 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.435 ' CD ' ' O ' ' A' ' 76' ' ' GLN . 3.3 pp0? -92.33 39.97 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -123.73 -69.23 0.22 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.508 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 79' ' ' LEU . 7.5 m -134.18 43.33 2.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.888 0.375 . . . . 0.0 110.795 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.445 HD12 ' CZ ' ' A' ' 74' ' ' ARG . 4.0 mm? 37.28 53.51 1.28 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.826 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.402 ' HD2' ' O ' ' A' ' 81' ' ' LEU . 1.1 tpp85 -104.59 110.44 22.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.574 HD11 ' O ' ' A' ' 83' ' ' LEU . 0.1 OUTLIER -66.76 129.87 41.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.896 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.647 ' H ' HD13 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -124.02 -21.2 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.096 179.857 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.574 ' O ' HD11 ' A' ' 81' ' ' LEU . 6.9 tp -127.73 112.18 14.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.451 ' C ' ' OD1' ' A' ' 84' ' ' ASN . 9.6 t-20 -145.03 105.09 4.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.7 t -144.52 154.92 43.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.075 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.476 ' HD2' ' NE2' ' A' ' 68' ' ' GLN . 19.8 ttpt -99.3 123.83 43.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.645 HD23 ' HE2' ' A' ' 91' ' ' MET . 15.4 mt -56.66 139.05 51.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.558 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 42.9 p90 -120.52 161.43 21.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.437 ' HB1' ' HA ' ' A' ' 140' ' ' ARG . . . -54.44 -46.1 73.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.176 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.558 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 72.5 mm-40 -83.19 32.45 0.44 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.645 ' HE2' HD23 ' A' ' 87' ' ' LEU . 1.5 tpp -72.68 135.73 45.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -102.56 118.5 36.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.7 tt -149.22 134.15 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.157 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -148.51 144.14 27.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.66 ' HE3' HG22 ' A' ' 125' ' ' THR . 12.0 tptm -85.13 93.95 8.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.985 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.6 -48.93 76.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.8 t -146.5 -178.95 6.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.802 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -66.04 -39.9 90.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.837 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -110.7 32.57 5.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 39.8 p -156.88 139.66 15.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.665 ' CD1' HD11 ' A' ' 128' ' ' LEU . 3.6 mt -133.67 148.1 30.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.186 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.597 ' CE1' ' CD1' ' A' ' 117' ' ' LEU . 4.6 m80 -118.17 103.31 9.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.492 ' C ' HD12 ' A' ' 103' ' ' ILE . 1.4 pp -120.84 146.8 25.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.131 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.417 ' O ' ' HE1' ' A' ' 91' ' ' MET . 21.0 p -102.65 123.11 45.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.426 ' HB3' ' CD1' ' A' ' 116' ' ' PHE . . . -143.39 175.98 9.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.116 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 17.8 mtt -108.6 155.47 20.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.82 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -103.1 167.36 9.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.815 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.3 -36.67 13.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.16 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -82.24 -56.89 3.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -70.68 -34.93 72.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 62.88 46.12 5.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -142.67 152.74 24.09 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.448 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 92.6 t -75.78 96.53 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.966 0.412 . . . . 0.0 111.093 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.564 ' HG3' ' CE1' ' A' ' 116' ' ' PHE . 1.6 ptpm? -108.24 156.39 19.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 98.1 t -80.73 113.17 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.171 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.587 ' CD2' HD21 ' A' ' 36' ' ' LEU . 91.9 m-85 -98.96 137.88 36.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.96 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.597 ' CD1' ' CE1' ' A' ' 102' ' ' HIS . 3.3 tp -103.22 157.17 17.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.537 HD12 ' HB ' ' A' ' 101' ' ' ILE . 10.3 mt -137.5 106.82 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.8 t -103.73 115.57 30.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.721 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -143.99 174.36 10.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.076 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 74.0 m -53.86 151.15 6.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 96.5 p -41.04 -44.21 2.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.88 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -81.05 -59.88 2.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.923 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 127' ' ' GLN . 1.1 m-20 -38.96 -59.52 0.96 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.66 HG22 ' HE3' ' A' ' 95' ' ' LYS . 93.9 m -41.76 -37.36 1.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.137 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -76.45 -31.54 54.13 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.529 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 124' ' ' ASP . 6.9 mt-30 -59.3 -68.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.829 0.347 . . . . 0.0 110.939 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.859 HD12 ' N ' ' A' ' 129' ' ' TYR . 2.4 pp -57.06 -40.35 76.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.859 ' N ' HD12 ' A' ' 128' ' ' LEU . 16.7 t80 -59.43 -68.6 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 129' ' ' TYR . . . -37.88 -33.28 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.092 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.46 ' HB1' HD22 ' A' ' 56' ' ' LEU . . . -73.76 -46.95 42.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.1 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.939 HD11 HD21 ' A' ' 71' ' ' LEU . 3.4 mm? -49.28 -71.33 0.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.458 ' C ' ' O ' ' A' ' 132' ' ' LEU . 7.7 t-160 -33.88 -70.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.876 ' HA ' HD12 ' A' ' 137' ' ' LEU . 23.9 t-80 -40.32 -60.01 1.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.917 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.711 ' HD2' HD21 ' A' ' 56' ' ' LEU . 9.9 mmp_? -40.22 -34.38 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.829 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.511 ' N ' HD13 ' A' ' 136' ' ' ILE . 2.3 mm -79.92 -51.73 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.099 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.876 HD12 ' HA ' ' A' ' 134' ' ' HIS . 16.4 mt -42.12 -30.17 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -68.81 -39.63 79.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 136' ' ' ILE . 3.3 mt -75.42 -56.39 4.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.91 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.49 ' CG ' ' HA ' ' A' ' 137' ' ' LEU . 5.8 ptp180 -56.91 -12.69 2.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 41.6 t -87.07 -21.84 25.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 39.2 mtp85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.85 -179.908 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.84 0.352 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -116.38 90.09 3.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.416 ' CB ' HD23 ' A' ' 56' ' ' LEU . 92.4 t -51.01 -73.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.113 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 pp -142.6 144.37 32.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.658 ' CG ' HD11 ' A' ' 53' ' ' LEU . 20.6 tt0 -126.58 132.78 51.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.6 133.64 9.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.82 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -60.0 133.65 56.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.665 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 2.0 t -151.43 178.52 9.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -126.13 145.67 50.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.4 HD11 ' CD1' ' A' ' 116' ' ' PHE . 22.4 tp -108.93 129.54 55.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.48 ' HD2' HD23 ' A' ' 117' ' ' LEU . 22.6 m-85 -129.97 139.86 51.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.642 ' CG1' ' CE1' ' A' ' 116' ' ' PHE . 10.7 m -131.34 149.77 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.46 ' C ' ' CD1' ' A' ' 39' ' ' PHE . 5.6 t80 -91.12 122.42 33.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 42' ' ' THR . 23.5 t0 -114.1 102.68 10.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 40' ' ' ASP . 2.8 ptpp? -35.53 -31.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.486 ' N ' ' O ' ' A' ' 40' ' ' ASP . 37.2 m -57.51 -49.01 77.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 40' ' ' ASP . 28.4 t -93.03 -24.87 18.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 68.51 36.47 2.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 t -163.9 -179.9 6.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 73.0 m95 -73.12 133.09 44.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 57.6 t -125.67 143.19 40.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -67.68 110.99 3.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.495 ' O ' ' CD ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -95.98 1.2 52.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 135.89 116.71 1.61 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.53 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -106.29 150.56 25.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.36 . . . . 0.0 110.86 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 164.46 -121.0 0.98 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.519 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.658 HD11 ' CG ' ' A' ' 31' ' ' GLN . 43.7 tp -115.4 148.85 38.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.822 0.344 . . . . 0.0 110.945 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.726 HD12 ' O ' ' A' ' 72' ' ' VAL . 3.6 tp -139.76 134.91 32.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.549 ' NH1' HG11 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -151.18 151.25 31.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.923 HD22 ' HB1' ' A' ' 131' ' ' ALA . 2.2 tp -89.94 109.1 20.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -92.49 149.02 21.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.518 ' CG ' HD21 ' A' ' 67' ' ' LEU . 0.9 OUTLIER -110.33 134.24 52.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.463 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 16.9 ptt? -135.43 148.24 49.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -82.72 135.71 34.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.087 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.451 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -72.46 150.66 43.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.83 -179.759 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.07 -56.5 2.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.146 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -80.87 -6.17 58.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -121.75 -25.07 5.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.451 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 61.39 6.76 8.54 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.512 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.412 HG21 ' HD3' ' A' ' 142' ' ' ARG . 12.9 t -93.59 174.66 7.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.816 0.341 . . . . 0.0 111.165 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.518 HD21 ' CG ' ' A' ' 58' ' ' ASP . 3.3 tm? -68.37 100.03 1.01 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.407 ' HG3' ' CB ' ' A' ' 61' ' ' SER . 5.4 mm-40 -90.95 166.88 12.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.466 ' HB3' HD12 ' A' ' 87' ' ' LEU . 3.9 m -149.38 162.61 39.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -153.2 154.01 33.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 1.091 HD21 HD21 ' A' ' 132' ' ' LEU . 9.7 mt -96.87 114.0 25.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.936 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.726 ' O ' HD12 ' A' ' 54' ' ' LEU . 2.2 t -112.71 148.99 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.166 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.568 ' SD ' HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -142.46 112.86 7.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 27.8 mtt-85 -100.68 136.42 40.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 26.0 p -78.71 169.62 17.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.132 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -86.0 141.49 29.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.45 -53.19 2.75 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.508 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 t -101.34 128.91 47.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.965 0.412 . . . . 0.0 110.83 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -81.4 41.36 0.61 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.937 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -88.92 142.83 27.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.655 HD13 ' H ' ' A' ' 82' ' ' ILE . 0.1 OUTLIER -97.81 138.22 35.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.655 ' H ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -128.37 -26.54 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.838 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.517 ' O ' HD11 ' A' ' 81' ' ' LEU . 5.7 tp -126.73 112.5 15.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.4 ' C ' ' OD1' ' A' ' 84' ' ' ASN . 34.9 t-20 -144.9 105.51 4.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.3 t -148.5 152.12 36.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.211 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.8 127.62 42.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.903 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.581 HD22 HD11 ' A' ' 136' ' ' ILE . 8.5 mt -58.28 136.82 57.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.579 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 48.3 p90 -120.63 155.46 33.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.792 ' HB1' ' HA ' ' A' ' 140' ' ' ARG . . . -47.87 -47.89 31.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.579 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 6.2 mp0 -82.03 29.04 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.515 ' HA ' ' CE2' ' A' ' 88' ' ' TRP . 1.4 tpp -69.04 133.78 48.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.899 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -98.36 109.53 22.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.946 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.8 tt -147.2 112.71 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.14 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -126.1 142.4 51.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.422 ' HE3' HG22 ' A' ' 125' ' ' THR . 11.2 tptm -77.09 96.73 4.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.96 -29.76 65.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.1 t -169.51 162.89 10.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -68.4 -7.89 35.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.835 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -126.54 -5.69 6.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.956 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 59.9 p -138.36 139.36 38.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.66 HD11 HG23 ' A' ' 125' ' ' THR . 3.8 mt -133.75 144.2 36.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.177 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.789 ' CD2' HD12 ' A' ' 117' ' ' LEU . 8.2 m170 -111.47 100.66 9.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.628 HD13 HD13 ' A' ' 71' ' ' LEU . 1.3 pp -116.43 144.69 23.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.434 ' O ' ' HE1' ' A' ' 91' ' ' MET . 44.4 p -99.74 126.73 45.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.187 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.529 ' HB3' ' CD2' ' A' ' 116' ' ' PHE . . . -137.21 160.07 40.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.095 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.588 ' HG3' HG22 ' A' ' 113' ' ' VAL . 24.8 mtt -89.41 156.22 18.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -89.62 156.95 18.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 80.6 p -78.28 -45.28 23.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.06 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -98.75 -45.41 6.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.74 -18.78 62.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.823 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 44.07 48.71 7.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -134.22 145.58 17.64 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.588 HG22 ' HG3' ' A' ' 106' ' ' MET . 61.0 t -81.95 111.79 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.893 0.378 . . . . 0.0 111.136 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.526 ' HG3' ' CE2' ' A' ' 116' ' ' PHE . 1.9 ptpt -117.94 167.24 11.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.905 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 54.5 t -85.67 105.8 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.172 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.642 ' CE1' ' CG1' ' A' ' 38' ' ' VAL . 64.4 m-85 -96.22 145.19 25.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.789 HD12 ' CD2' ' A' ' 102' ' ' HIS . 3.5 tp -108.35 156.91 18.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.851 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.504 HD12 ' HB ' ' A' ' 101' ' ' ILE . 46.6 mt -131.83 96.48 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.061 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.2 t -95.91 106.22 18.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.665 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -142.36 172.52 12.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.121 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 122' ' ' SER . 34.8 t -63.34 142.41 58.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 121' ' ' SER . 11.0 p -35.88 -46.07 0.44 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.818 -179.744 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.21 -53.8 26.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -51.88 -53.02 45.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.882 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.66 HG23 HD11 ' A' ' 101' ' ' ILE . 79.2 m -42.91 -60.83 1.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -43.13 -49.55 6.46 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -57.32 -68.49 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.36 . . . . 0.0 110.904 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.46 ' C ' HD13 ' A' ' 128' ' ' LEU . 2.9 tm? -44.35 -50.54 9.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.433 ' O ' ' N ' ' A' ' 131' ' ' ALA . 55.1 t80 -60.09 -71.68 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -40.38 -26.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.135 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.923 ' HB1' HD22 ' A' ' 56' ' ' LEU . . . -75.31 -64.02 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 1.091 HD21 HD21 ' A' ' 71' ' ' LEU . 5.5 mp -51.93 -58.82 5.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.487 ' CE1' HD11 ' A' ' 137' ' ' LEU . 22.3 t-80 -33.34 -64.84 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.852 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.478 ' O ' ' N ' ' A' ' 136' ' ' ILE . 3.3 t-80 -49.7 -60.46 2.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.892 ' HD3' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -35.97 -31.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.898 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.581 HD11 HD22 ' A' ' 87' ' ' LEU . 3.1 mm -77.78 -53.76 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.487 HD11 ' CE1' ' A' ' 133' ' ' HIS . 22.1 mt -44.0 -26.86 0.32 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -74.25 -42.21 60.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.097 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.459 HD23 ' N ' ' A' ' 139' ' ' LEU . 3.7 mt -74.5 -58.92 2.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.792 ' HA ' ' HB1' ' A' ' 89' ' ' ALA . 6.0 ptm180 -47.79 -19.77 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 2.9 m -83.08 -40.32 20.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.873 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' ARG . . . . . 0.412 ' HD3' HG21 ' A' ' 66' ' ' THR . 6.8 mtm105 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.458 -0.06 0 CA-C-O 120.911 0.386 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -75.63 128.91 36.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.0 m -103.6 -34.38 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.434 ' C ' HD12 ' A' ' 30' ' ' LEU . 3.1 pp -151.81 137.65 18.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.9 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.686 ' HG2' HD11 ' A' ' 53' ' ' LEU . 14.2 tt0 -138.29 123.59 19.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.17 141.44 26.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -63.31 129.37 39.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.939 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.967 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.5 t -149.8 174.33 12.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.602 ' HD2' ' CZ ' ' A' ' 37' ' ' PHE . 15.3 ttmt -116.76 151.83 35.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.0 tp -123.9 135.2 53.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.602 ' CZ ' ' HD2' ' A' ' 35' ' ' LYS . 73.7 m-85 -124.04 146.82 48.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 38' ' ' VAL . 5.5 p -128.51 117.11 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.539 ' CZ ' ' HA ' ' A' ' 44' ' ' GLN . 1.7 t80 -79.46 124.97 28.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 42' ' ' THR . 27.8 t0 -105.25 105.24 15.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.9 ptpp? -39.06 -29.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 40' ' ' ASP . 58.4 m -58.72 -48.68 80.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.203 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.8 t -90.81 -24.51 20.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.83 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.539 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 6.9 mm100 65.84 37.02 5.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.9 t -153.32 171.73 18.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.55 ' CZ2' HD13 ' A' ' 117' ' ' LEU . 72.4 m95 -78.32 120.6 23.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 69.3 t -121.3 142.59 36.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 49' ' ' ARG . 4.1 tp10 -60.46 147.99 39.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.821 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.403 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -132.42 -45.59 0.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.896 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -177.41 129.66 1.49 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.508 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.12 139.72 52.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.88 0.371 . . . . 0.0 110.935 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -178.61 -100.83 0.14 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.526 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.686 HD11 ' HG2' ' A' ' 31' ' ' GLN . 19.8 tp -138.94 121.21 15.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.837 0.351 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.804 HD12 ' O ' ' A' ' 72' ' ' VAL . 8.9 tp -96.97 142.19 29.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.66 ' O ' HG22 ' A' ' 72' ' ' VAL . 10.2 ptt85 -150.86 148.25 28.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.437 HD13 ' HD3' ' A' ' 135' ' ' ARG . 5.5 tp -106.36 112.83 26.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.944 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -98.75 142.75 29.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -107.01 129.96 54.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.506 ' O ' ' N ' ' A' ' 68' ' ' GLN . 20.9 ptt? -132.84 153.8 50.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.6 151.6 30.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.415 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.6 OUTLIER -88.58 154.64 20.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.823 -179.762 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.11 -51.6 3.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.143 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.86 -6.82 59.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.453 ' HB3' ' NE ' ' A' ' 142' ' ' ARG . 5.5 m-20 -122.53 -18.78 6.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.415 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 53.9 14.63 4.2 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.4 t -102.49 173.89 6.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.806 0.336 . . . . 0.0 111.141 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 67' ' ' LEU . 2.2 tm? -67.18 100.49 0.79 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.959 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.506 ' N ' ' O ' ' A' ' 59' ' ' MET . 5.4 mm-40 -88.5 168.92 12.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.7 m -147.41 167.34 24.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -160.94 162.75 32.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.951 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.457 HD21 HH22 ' A' ' 135' ' ' ARG . 11.3 mt -95.35 157.07 16.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.938 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.804 ' O ' HD12 ' A' ' 54' ' ' LEU . 0.9 OUTLIER -155.03 153.96 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 179.861 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.671 ' O ' HD13 ' A' ' 82' ' ' ILE . 8.1 tpt -155.15 107.29 2.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.872 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 58.7 mtm180 -100.31 125.02 46.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.564 HG23 HD12 ' A' ' 82' ' ' ILE . 9.1 p -69.71 145.59 52.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.089 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 77' ' ' GLY . 9.0 pt20 -69.25 -36.83 77.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.961 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 76' ' ' GLN . . . -37.67 -74.67 0.1 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.465 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 79' ' ' LEU . 7.0 t -132.44 48.49 2.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.864 0.364 . . . . 0.0 110.847 -179.729 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 78' ' ' SER . 4.2 mm? 35.14 47.5 0.29 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -94.95 157.65 15.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.758 HD13 ' N ' ' A' ' 82' ' ' ILE . 0.3 OUTLIER -102.02 141.37 34.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.758 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -134.88 -30.14 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.779 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.602 ' O ' HD11 ' A' ' 81' ' ' LEU . 7.6 tp -120.04 125.69 48.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -158.42 105.07 1.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.472 HG21 ' HB1' ' A' ' 105' ' ' ALA . 6.9 t -140.9 154.99 46.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.472 ' HG3' ' CE ' ' A' ' 59' ' ' MET . 33.8 ttmt -98.35 124.12 42.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.925 HD21 ' NH2' ' A' ' 135' ' ' ARG . 8.9 mt -57.0 143.02 39.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.577 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 48.2 p90 -125.81 157.05 38.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.24 -46.59 54.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.577 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 38.8 mm-40 -82.51 31.42 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.864 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.651 ' CE ' HD23 ' A' ' 87' ' ' LEU . 1.0 OUTLIER -69.6 141.18 53.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.827 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -110.0 125.45 52.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.845 HD12 HD23 ' A' ' 132' ' ' LEU . 1.1 tt -152.02 130.55 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -139.08 138.43 37.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.1 tptm -88.43 98.2 11.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.65 -42.15 87.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.1 t -152.66 175.91 12.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -77.89 1.41 20.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -126.45 -25.91 3.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 85.5 p -112.94 151.62 30.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.82 ' HB ' HD12 ' A' ' 118' ' ' ILE . 9.2 mt -140.51 136.69 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.077 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.61 ' CD2' HD12 ' A' ' 117' ' ' LEU . 11.5 m170 -110.1 117.97 35.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.493 ' O ' HG23 ' A' ' 115' ' ' VAL . 3.2 pt -136.55 153.51 30.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.09 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 14.8 p -102.8 119.62 39.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.472 ' HB1' HG21 ' A' ' 85' ' ' THR . . . -138.2 161.29 37.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.798 ' HG3' HG22 ' A' ' 113' ' ' VAL . 24.5 mtt -86.24 179.22 6.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.489 ' OD1' ' CD ' ' A' ' 114' ' ' LYS . 0.8 OUTLIER -117.7 166.83 11.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 72.3 p -91.86 -41.71 10.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -101.26 -45.23 5.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -64.17 -35.97 82.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.826 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 63.11 41.19 8.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.998 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -135.29 148.99 19.82 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.539 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.798 HG22 ' HG3' ' A' ' 106' ' ' MET . 50.7 t -83.25 94.07 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.93 0.395 . . . . 0.0 111.136 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.583 ' HG3' ' CE1' ' A' ' 116' ' ' PHE . 1.4 ptpm? -110.74 154.18 24.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 103' ' ' ILE . 7.3 p -93.25 118.39 38.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.583 ' CE1' ' HG3' ' A' ' 114' ' ' LYS . 82.9 m-85 -98.2 177.8 5.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.61 HD12 ' CD2' ' A' ' 102' ' ' HIS . 3.9 tp -123.83 157.17 34.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.964 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.82 HD12 ' HB ' ' A' ' 101' ' ' ILE . 4.9 mt -134.25 98.17 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 23.1 t -98.14 123.66 42.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.967 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -157.61 177.76 11.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.152 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 48.1 m -63.78 147.07 52.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.914 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 52.3 p -40.54 -46.47 2.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 46.2 tptt -67.45 -68.97 0.34 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -42.94 -66.84 0.33 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.845 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.721 ' OG1' ' HB3' ' A' ' 120' ' ' ALA . 97.7 m -40.05 -41.36 1.22 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.215 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -61.25 -43.46 99.35 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.458 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -54.81 -57.92 9.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.836 0.351 . . . . 0.0 110.923 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.718 ' CD2' HG21 ' A' ' 118' ' ' ILE . 30.9 tp -49.71 -67.66 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -39.61 -67.28 0.23 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -38.26 -35.51 0.17 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.03 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 128' ' ' LEU . . . -76.09 -47.12 25.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.845 HD23 HD12 ' A' ' 93' ' ' ILE . 10.6 mp -44.65 -69.13 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.469 ' C ' ' O ' ' A' ' 132' ' ' LEU . 8.0 t-160 -32.97 -60.91 0.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.818 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.471 ' HA ' HD12 ' A' ' 137' ' ' LEU . 8.4 t-80 -44.89 -63.66 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.925 ' NH2' HD21 ' A' ' 87' ' ' LEU . 50.6 mtm180 -36.11 -40.91 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.922 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.538 ' N ' HD13 ' A' ' 136' ' ' ILE . 1.8 mm -72.28 -54.82 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.207 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 134' ' ' HIS . 70.9 mt -36.16 -45.1 0.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -57.99 -42.64 85.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 136' ' ' ILE . 1.7 mt -72.44 -51.51 19.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 140' ' ' ARG . 1.1 mtp-105 -60.6 -32.11 71.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 23.2 t -62.53 -20.86 65.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' ARG . . . . . 0.453 ' NE ' ' HB3' ' A' ' 64' ' ' ASP . 8.1 mtp-105 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.826 0.346 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -138.53 154.79 48.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.945 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.568 HG21 HD23 ' A' ' 56' ' ' LEU . 2.9 m -120.93 -39.65 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.456 ' O ' HD12 ' A' ' 30' ' ' LEU . 3.4 pp -152.75 131.56 12.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.85 ' CG ' HD11 ' A' ' 53' ' ' LEU . 22.0 tt0 -128.36 139.32 52.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.542 ' CE ' HD23 ' A' ' 128' ' ' LEU . 1.0 OUTLIER -161.32 149.26 15.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.855 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -77.69 118.86 20.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.969 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.8 t -139.65 174.91 10.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 27.5 mtpt -113.87 153.44 29.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.6 tp -123.13 117.89 26.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -112.55 123.58 50.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 38' ' ' VAL . 7.0 p -105.37 129.13 58.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.546 ' CZ ' ' HA ' ' A' ' 44' ' ' GLN . 18.5 t80 -79.37 111.3 15.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 42' ' ' THR . 31.6 t0 -95.78 106.42 18.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.6 tttt -41.9 -23.93 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 40' ' ' ASP . 36.5 m -61.76 -47.05 86.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.111 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.4 t -96.37 -23.55 16.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.546 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 7.2 mm100 69.67 31.39 3.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.982 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.3 t -153.21 -177.22 6.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.559 ' CZ2' HD13 ' A' ' 117' ' ' LEU . 78.2 m95 -75.67 123.48 25.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 56.5 t -118.94 125.21 74.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.131 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -49.66 108.37 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.66 -32.9 13.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 163.64 132.73 1.38 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.541 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 29.8 ptt180 -121.31 137.01 54.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.864 0.364 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.415 ' N ' ' CE ' ' A' ' 73' ' ' MET . . . -176.28 -122.95 0.74 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.85 HD11 ' CG ' ' A' ' 31' ' ' GLN . 33.0 tp -114.5 126.51 55.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.827 0.346 . . . . 0.0 110.925 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.704 ' CD2' HD22 ' A' ' 128' ' ' LEU . 7.0 tp -112.12 134.94 53.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.966 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.7 ptt-85 -151.27 150.26 30.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.843 HD22 ' HB1' ' A' ' 131' ' ' ALA . 5.4 tp -97.89 108.05 20.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.2 p-10 -92.22 145.72 24.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -101.51 138.0 39.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.832 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.5 ' O ' ' N ' ' A' ' 68' ' ' GLN . 24.2 ptt? -151.4 142.78 23.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.24 166.9 20.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.075 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.522 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 1.1 t -87.67 166.73 14.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.815 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.3 t -99.93 -45.59 5.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.129 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -95.18 -11.31 28.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 66' ' ' THR . 25.3 t0 -123.23 -8.19 8.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.522 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 44.03 20.22 0.15 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.502 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 61' ' ' SER . 0.7 OUTLIER -94.12 174.95 6.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 111.088 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.411 HD22 ' HA ' ' A' ' 67' ' ' LEU . 1.7 tm? -65.74 99.2 0.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 59' ' ' MET . 5.9 mm100 -99.54 171.31 8.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 72.9 m -148.45 158.97 44.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.448 ' HB3' ' CE ' ' A' ' 59' ' ' MET . 1.8 ptp180 -146.6 155.97 42.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.685 HD21 HD21 ' A' ' 132' ' ' LEU . 12.0 mt -96.21 114.61 26.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.558 HG13 HD21 ' A' ' 81' ' ' LEU . 2.1 t -114.46 147.66 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.739 ' SD ' HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -145.28 115.15 7.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 29.4 mtt180 -105.17 131.23 52.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.67 HG23 HD12 ' A' ' 82' ' ' ILE . 1.4 p -73.07 160.61 31.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.68 30.33 1.37 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.936 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -108.36 -78.02 1.05 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.558 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 39.7 p -128.51 37.76 4.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.861 0.363 . . . . 0.0 110.838 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.8 mt 53.38 42.91 31.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -93.29 140.67 29.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.565 HD13 ' N ' ' A' ' 82' ' ' ILE . 0.1 OUTLIER -90.59 132.43 35.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.739 HD11 ' SD ' ' A' ' 73' ' ' MET . 0.2 OUTLIER -121.65 -24.13 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.061 179.878 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.571 HD23 ' HB2' ' A' ' 73' ' ' MET . 7.2 tp -129.18 107.02 9.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.987 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -135.06 98.65 4.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.423 HG21 ' HB1' ' A' ' 105' ' ' ALA . 7.6 t -139.38 152.96 47.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.458 ' HD3' ' NE2' ' A' ' 68' ' ' GLN . 19.1 ttmt -100.42 123.02 44.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.939 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.776 HD23 ' CE ' ' A' ' 91' ' ' MET . 8.2 mt -56.36 149.53 16.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.573 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 48.1 p90 -134.9 153.7 51.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -45.34 -48.96 13.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.074 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.573 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 8.4 mp0 -82.22 29.65 0.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.959 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.776 ' CE ' HD23 ' A' ' 87' ' ' LEU . 3.2 tpp -70.69 135.08 48.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -95.4 115.84 27.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.0 tt -150.95 116.39 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.088 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -145.91 117.45 8.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.783 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.559 ' CD ' ' CD2' ' A' ' 129' ' ' TYR . 3.9 tttm -58.34 143.44 44.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.823 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -118.6 -18.24 9.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.151 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 6.9 t -162.18 150.8 15.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.446 ' CD ' ' HB2' ' A' ' 122' ' ' SER . 3.2 tt0 -55.26 -18.32 6.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -124.88 26.84 6.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.86 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.435 ' C ' HG13 ' A' ' 101' ' ' ILE . 0.8 OUTLIER -159.89 152.52 21.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.557 HD11 HG23 ' A' ' 125' ' ' THR . 7.0 mt -144.08 151.05 16.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.136 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.423 ' CE1' ' CD1' ' A' ' 117' ' ' LEU . 1.3 m80 -115.49 101.47 8.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.482 HD13 HD13 ' A' ' 71' ' ' LEU . 1.1 pp -123.66 148.06 27.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 64.8 p -102.95 131.15 50.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.165 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.423 ' HB1' HG21 ' A' ' 85' ' ' THR . . . -138.37 168.74 19.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.13 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 28.4 mtt -97.69 144.58 27.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -77.12 158.87 30.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 80.7 p -79.83 -44.28 20.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -97.07 -47.63 5.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -67.13 -18.48 65.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 46.87 32.09 1.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -121.72 159.51 16.29 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.426 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 21.6 t -89.31 137.09 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.92 0.391 . . . . 0.0 111.17 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -143.91 174.43 10.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 41.9 t -93.75 104.93 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -96.84 150.95 20.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.559 HD13 ' CZ2' ' A' ' 46' ' ' TRP . 4.9 tp -117.95 154.79 31.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.646 HG22 ' SG ' ' A' ' 34' ' ' CYS . 6.5 mt -133.42 101.7 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.6 t -90.52 102.46 15.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.822 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.969 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -131.9 160.33 36.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.118 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.9 m -48.91 158.89 0.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.446 ' HB2' ' CD ' ' A' ' 98' ' ' GLU . 34.3 p -46.12 -39.79 9.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -83.63 -59.49 2.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.421 ' OD1' ' CB ' ' A' ' 32' ' ' MET . 2.6 m-20 -39.71 -45.63 1.74 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.557 HG23 HD11 ' A' ' 101' ' ' ILE . 90.8 m -57.52 -53.8 54.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -58.98 -26.92 61.51 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.478 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -67.46 -67.56 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.825 0.345 . . . . 0.0 110.944 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.803 ' C ' HD12 ' A' ' 128' ' ' LEU . 0.4 OUTLIER -59.54 -44.48 93.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.662 ' N ' HD12 ' A' ' 128' ' ' LEU . 11.1 t80 -55.23 -46.8 75.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.72 -28.73 69.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.118 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.843 ' HB1' HD22 ' A' ' 56' ' ' LEU . . . -74.5 -65.63 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.087 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.685 HD21 HD21 ' A' ' 71' ' ' LEU . 5.6 mp -38.41 -66.0 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.452 ' C ' ' O ' ' A' ' 132' ' ' LEU . 7.0 t-80 -33.95 -58.4 0.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.533 ' CE1' HH21 ' A' ' 135' ' ' ARG . 2.9 t-80 -52.68 -54.98 25.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.746 ' HD3' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -42.64 -22.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 -179.89 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.512 HD12 ' O ' ' A' ' 132' ' ' LEU . 3.7 mp -95.26 -49.4 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.458 ' HA ' ' CG ' ' A' ' 140' ' ' ARG . 25.7 mt -47.4 -29.32 2.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -73.7 -39.78 64.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.026 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.458 HD23 ' N ' ' A' ' 139' ' ' LEU . 1.3 mt -73.44 -54.4 8.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.458 ' CG ' ' HA ' ' A' ' 137' ' ' LEU . 5.3 ptm180 -54.54 -17.95 3.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.1 m -77.84 -31.48 51.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 16.5 mtt-85 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.9 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.7 t . . . . . 0 C--O 1.23 0.032 0 CA-C-O 120.994 0.426 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -116.25 114.77 24.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.567 HG11 HD23 ' A' ' 56' ' ' LEU . 3.9 p -91.0 -38.1 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.126 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.45 ' C ' HD12 ' A' ' 30' ' ' LEU . 1.3 pp -160.75 132.94 6.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 1.083 ' CD ' HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -134.2 148.57 50.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.7 ptm -166.76 145.94 5.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -69.28 123.88 22.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.61 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 2.3 t -142.64 173.67 11.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -115.01 159.05 21.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.636 HD23 ' CG ' ' A' ' 49' ' ' ARG . 14.2 tp -128.43 128.96 45.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.468 ' HD2' HD23 ' A' ' 117' ' ' LEU . 17.8 m-85 -125.9 124.25 40.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.463 ' CG2' ' HD3' ' A' ' 114' ' ' LYS . 7.3 p -109.25 139.45 32.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.161 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -89.48 137.95 31.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 42' ' ' THR . 5.5 t70 -127.03 102.11 6.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.808 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 40' ' ' ASP . 1.1 ttmm -38.07 -27.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 40' ' ' ASP . 31.9 m -61.3 -47.68 84.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.0 t -94.65 -23.35 17.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 66.4 36.83 4.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.0 t -152.6 179.05 8.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 74.5 m95 -82.17 98.33 8.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.456 ' O ' HG12 ' A' ' 38' ' ' VAL . 70.5 t -87.25 118.42 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -49.9 121.12 4.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.636 ' CG ' HD23 ' A' ' 36' ' ' LEU . 14.2 tpp180 -93.63 -45.26 7.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 166.73 119.29 0.47 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.471 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.8 145.06 34.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 0.0 110.883 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.529 ' N ' ' CE ' ' A' ' 73' ' ' MET . . . -179.39 -118.38 0.58 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.503 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.083 HD11 ' CD ' ' A' ' 31' ' ' GLN . 51.9 tp -114.2 115.9 28.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 0.0 110.903 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.526 HD12 ' O ' ' A' ' 72' ' ' VAL . 5.4 tp -105.26 133.96 49.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.483 ' HB3' ' CG ' ' A' ' 31' ' ' GLN . 2.1 ptm180 -151.25 152.75 33.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.567 HD23 HG11 ' A' ' 29' ' ' VAL . 3.0 tp -95.68 112.82 24.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -95.65 129.55 42.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.26 107.01 19.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.492 ' O ' ' N ' ' A' ' 68' ' ' GLN . 20.7 ptt? -110.11 156.01 21.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -81.43 157.14 25.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.088 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.425 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 1.0 OUTLIER -91.01 152.57 20.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.888 -179.791 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.29 -47.65 5.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -88.02 -8.06 56.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.909 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -122.39 -18.92 6.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.425 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 57.12 10.47 5.18 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.495 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.2 t -99.6 174.63 6.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.754 0.311 . . . . 0.0 111.189 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -66.33 104.24 1.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.492 ' N ' ' O ' ' A' ' 59' ' ' MET . 5.4 mm-40 -95.71 167.16 11.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.596 ' HB2' HD12 ' A' ' 87' ' ' LEU . 67.1 m -131.27 163.42 27.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -152.23 158.45 42.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.442 HD21 HH22 ' A' ' 135' ' ' ARG . 9.4 mt -106.09 112.46 25.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.526 ' O ' HD12 ' A' ' 54' ' ' LEU . 2.2 t -117.22 146.87 21.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.083 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.529 ' CE ' ' N ' ' A' ' 52' ' ' GLY . 10.6 tpt -153.15 108.95 3.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -103.09 132.32 49.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.479 HG23 HD12 ' A' ' 82' ' ' ILE . 21.1 p -72.26 149.92 44.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.62 -35.27 72.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.945 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -37.86 -91.38 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.469 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 79' ' ' LEU . 15.2 m -113.69 42.95 1.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 0.0 110.877 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 78' ' ' SER . 14.1 mt 36.96 50.22 0.86 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 41.7 ttt85 -101.09 148.27 25.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.888 HD13 ' N ' ' A' ' 82' ' ' ILE . 0.6 OUTLIER -91.79 141.03 29.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.888 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -134.96 -31.12 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.914 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.686 ' O ' HD11 ' A' ' 81' ' ' LEU . 8.8 tp -116.89 135.36 53.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.444 ' C ' ' OD1' ' A' ' 84' ' ' ASN . 8.9 t-20 -169.29 105.1 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 4.3 t -146.94 144.15 29.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.184 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.427 ' CD ' ' O ' ' A' ' 87' ' ' LEU . 0.6 OUTLIER -86.4 128.47 34.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.989 HD11 ' CZ ' ' A' ' 135' ' ' ARG . 20.5 mt -57.68 148.28 25.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.581 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 47.7 p90 -131.8 152.41 50.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.413 ' C ' ' H ' ' A' ' 91' ' ' MET . . . -46.21 -49.17 17.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.103 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.581 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 16.6 mp0 -78.72 26.91 0.23 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.56 ' CE ' HD23 ' A' ' 87' ' ' LEU . 0.7 OUTLIER -66.55 140.59 57.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -110.76 124.78 52.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.859 HD12 HD23 ' A' ' 132' ' ' LEU . 1.4 tt -154.64 127.72 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.043 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -136.35 141.05 43.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.537 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 12.3 tptm -83.35 101.21 11.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.93 -50.54 64.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.5 t -146.64 -178.68 6.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -78.71 2.96 17.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.852 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.6 mttt -132.7 -33.13 1.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.9 m -105.83 152.55 23.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.665 ' CD1' HD11 ' A' ' 128' ' ' LEU . 43.2 mt -143.81 146.03 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.706 ' CE1' ' CD1' ' A' ' 117' ' ' LEU . 3.0 m80 -115.83 114.99 25.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.604 HG22 HG13 ' A' ' 93' ' ' ILE . 1.7 pp -130.52 149.38 33.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 13.7 p -96.82 121.48 38.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -139.48 154.62 47.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.835 ' HG3' HG22 ' A' ' 113' ' ' VAL . 6.8 mtt -83.99 170.33 14.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -109.57 166.0 11.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 50.5 p -89.81 -39.56 13.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.084 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -100.09 -54.46 2.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 111' ' ' GLN . 4.6 t70 -64.86 -8.79 16.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.8 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 110' ' ' ASP . 16.1 mt-30 35.63 46.3 0.3 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -130.62 155.13 21.01 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.515 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.835 HG22 ' HG3' ' A' ' 106' ' ' MET . 54.7 t -90.52 98.73 8.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.844 0.354 . . . . 0.0 111.153 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.577 ' HG3' ' CE1' ' A' ' 116' ' ' PHE . 9.4 ptpt -116.66 148.11 41.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.961 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.431 ' O ' HG13 ' A' ' 115' ' ' VAL . 4.4 p -88.03 117.12 31.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.577 ' CE1' ' HG3' ' A' ' 114' ' ' LYS . 87.4 m-85 -96.45 177.52 5.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.706 ' CD1' ' CE1' ' A' ' 102' ' ' HIS . 3.7 tp -122.6 156.65 33.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.928 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.626 HG21 HD22 ' A' ' 128' ' ' LEU . 10.2 mt -134.76 102.22 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 45.4 t -99.58 113.48 25.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.61 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -143.47 172.65 12.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.058 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 122' ' ' SER . 3.4 m -60.68 147.28 42.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 121' ' ' SER . 13.3 p -33.8 -54.33 0.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.2 tmtm? -65.47 -62.93 1.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -40.19 -60.93 0.96 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.544 HG23 HD11 ' A' ' 101' ' ' ILE . 83.9 m -44.99 -37.25 3.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.076 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -69.87 -36.87 74.56 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -62.44 -60.7 3.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.851 0.358 . . . . 0.0 110.914 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.763 ' O ' HD13 ' A' ' 132' ' ' LEU . 1.4 pp -54.36 -42.02 69.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.922 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.537 ' CZ ' ' HB2' ' A' ' 95' ' ' LYS . 25.0 t80 -61.08 -66.54 0.52 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -40.2 -33.66 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.129 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -75.66 -54.05 7.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.121 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.859 HD23 HD12 ' A' ' 93' ' ' ILE . 9.0 mp -39.7 -68.97 0.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.437 ' C ' ' O ' ' A' ' 132' ' ' LEU . 10.0 t-160 -35.69 -66.12 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 135' ' ' ARG . 4.9 t-80 -38.5 -63.54 0.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.989 ' CZ ' HD11 ' A' ' 87' ' ' LEU . 50.8 mtm180 -36.94 -44.75 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.502 ' N ' HD13 ' A' ' 136' ' ' ILE . 2.8 mm -62.77 -51.23 74.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.433 ' HA ' ' CG ' ' A' ' 140' ' ' ARG . 20.1 mt -47.69 -39.36 17.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.951 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.63 -27.89 69.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.038 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.459 HD11 ' CB ' ' A' ' 87' ' ' LEU . 5.1 mt -82.59 -55.57 4.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.848 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 140' ' ' ARG . 0.0 OUTLIER -60.37 -15.3 24.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.847 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 42.3 t -82.23 -18.03 43.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' ARG . . . . . 0.404 ' CB ' HH11 ' A' ' 142' ' ' ARG . 4.2 mtm105 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.432 ' CB ' ' OD1' ' A' ' 58' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.864 0.364 . . . . 0.0 110.88 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -114.56 84.63 2.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.797 HG11 HD23 ' A' ' 56' ' ' LEU . 74.2 t -45.41 -62.5 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.177 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.435 ' O ' HD12 ' A' ' 30' ' ' LEU . 4.2 pp -153.5 138.53 17.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.962 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.651 ' CG ' HD11 ' A' ' 53' ' ' LEU . 19.8 tt0 -123.3 123.26 40.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.641 ' HE1' ' CB ' ' A' ' 120' ' ' ALA . 0.1 OUTLIER -156.2 128.39 7.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -55.37 135.6 50.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.897 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.6 t -151.21 174.02 13.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -114.49 121.42 43.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.503 HD22 ' HG2' ' A' ' 73' ' ' MET . 10.7 tp -103.5 115.59 30.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -110.43 163.38 13.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.629 HG22 ' CD2' ' A' ' 116' ' ' PHE . 3.8 t -124.85 151.18 30.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.536 ' HB2' ' CZ3' ' A' ' 46' ' ' TRP . 66.7 t80 -117.05 134.99 54.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 42' ' ' THR . 53.4 t0 -121.91 95.08 4.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 40' ' ' ASP . 4.6 ptpt -33.72 -34.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 40' ' ' ASP . 58.7 m -56.68 -50.09 73.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.21 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 40' ' ' ASP . 5.1 t -87.69 -27.98 22.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 67.05 35.65 4.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.978 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 t -146.47 177.75 8.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.757 ' CZ2' HD13 ' A' ' 117' ' ' LEU . 71.6 m95 -93.83 111.62 23.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.846 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 84.9 t -102.78 126.0 57.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.187 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -52.91 127.71 24.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -112.6 -49.27 2.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 174.09 122.91 0.7 Allowed Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.454 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.89 159.05 23.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.898 0.38 . . . . 0.0 110.895 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.437 ' N ' ' CE ' ' A' ' 73' ' ' MET . . . 164.35 -106.47 0.27 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.515 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.651 HD11 ' CG ' ' A' ' 31' ' ' GLN . 27.4 tp -120.56 137.75 54.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.864 0.364 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.459 ' H ' HD12 ' A' ' 53' ' ' LEU . 6.0 tp -121.31 140.78 51.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.496 ' CZ ' HG21 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -151.5 159.4 44.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.947 HD22 ' HB1' ' A' ' 131' ' ' ALA . 10.0 tp -115.86 108.28 16.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -92.47 153.38 19.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.432 ' OD1' ' CB ' ' A' ' 27' ' ' SER . 0.6 OUTLIER -116.73 136.95 52.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.88 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.513 ' O ' ' N ' ' A' ' 68' ' ' GLN . 22.2 ptt? -150.14 147.83 28.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.08 170.75 12.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 66' ' ' THR . 0.9 OUTLIER -92.77 165.84 12.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.851 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.453 HG23 ' N ' ' A' ' 63' ' ' ASP . 3.6 t -100.22 -47.75 4.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.174 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.453 ' N ' HG23 ' A' ' 62' ' ' THR . 2.5 m-20 -91.69 -17.32 25.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 66' ' ' THR . 10.9 t0 -116.91 -6.6 11.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.833 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.508 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 42.7 20.87 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.489 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.509 ' O ' ' N ' ' A' ' 61' ' ' SER . 0.8 OUTLIER -97.14 174.86 6.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.771 0.32 . . . . 0.0 111.184 -179.882 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.599 ' C ' HD13 ' A' ' 67' ' ' LEU . 2.5 tm? -64.74 99.83 0.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.513 ' N ' ' O ' ' A' ' 59' ' ' MET . 4.7 mm100 -96.82 172.01 8.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.959 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . 1.003 ' HB2' HD12 ' A' ' 87' ' ' LEU . 8.7 m -145.53 167.09 23.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.809 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.455 ' HB3' ' HE2' ' A' ' 59' ' ' MET . 3.3 ptp180 -154.97 150.74 27.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.942 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.754 HD21 HD21 ' A' ' 132' ' ' LEU . 9.2 mt -92.66 147.22 23.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.496 HG21 ' CZ ' ' A' ' 55' ' ' ARG . 0.9 OUTLIER -146.63 152.35 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.192 179.847 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.503 ' HG2' HD22 ' A' ' 36' ' ' LEU . 10.8 tpt -154.55 113.31 3.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.91 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.492 ' CG ' ' NH2' ' A' ' 55' ' ' ARG . 21.1 mtp180 -97.02 143.09 28.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.808 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.559 HG23 HD12 ' A' ' 82' ' ' ILE . 6.5 p -88.49 145.36 25.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.201 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -74.83 116.8 15.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 144.56 -72.06 0.36 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 79' ' ' LEU . 7.4 t -124.83 34.77 4.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.859 0.362 . . . . 0.0 110.81 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 78' ' ' SER . 80.9 mt 37.28 47.81 0.73 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -87.3 134.79 33.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.733 HD13 ' N ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -92.23 140.73 29.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.733 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -132.07 -28.67 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.853 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.662 ' O ' HD11 ' A' ' 81' ' ' LEU . 7.4 tp -118.68 119.76 35.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -150.9 105.0 3.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.627 HG21 ' HB1' ' A' ' 105' ' ' ALA . 12.0 t -141.4 149.69 41.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.449 ' HD3' ' NE2' ' A' ' 68' ' ' GLN . 9.1 ttmm -92.47 119.67 32.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 1.003 HD12 ' HB2' ' A' ' 69' ' ' SER . 25.5 mt -56.91 146.43 26.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.567 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 44.7 p90 -127.55 160.95 29.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.972 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.41 -44.99 69.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.127 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.567 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 71.4 mm-40 -84.63 32.11 0.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.468 ' HA ' ' NE1' ' A' ' 88' ' ' TRP . 1.5 tpp -67.41 139.19 57.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -105.98 117.68 34.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.8 tt -149.31 121.02 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.62 150.36 40.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.844 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 16.7 tptp -99.43 98.17 9.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.26 -43.27 82.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.078 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.4 t -167.83 174.81 7.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -77.09 8.26 4.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.949 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -121.58 -39.3 2.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.969 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.423 ' C ' HG13 ' A' ' 101' ' ' ILE . 73.7 p -119.51 154.72 33.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.822 HD12 HD11 ' A' ' 128' ' ' LEU . 50.8 mt -145.75 144.9 20.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.744 ' CE1' ' CD1' ' A' ' 117' ' ' LEU . 0.7 OUTLIER -114.33 132.66 56.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.859 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.63 HD13 ' CD1' ' A' ' 71' ' ' LEU . 1.5 pp -144.32 147.31 19.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.0 p -97.38 123.35 41.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.627 ' HB1' HG21 ' A' ' 85' ' ' THR . . . -142.07 159.4 42.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.102 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.805 ' HG3' HG22 ' A' ' 113' ' ' VAL . 8.9 mtt -87.53 147.47 25.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -84.22 165.44 18.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.8 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 43.2 p -90.68 -41.47 11.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.075 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -100.43 -45.14 5.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.23 -25.61 68.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 54.73 40.71 32.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -133.81 158.82 23.47 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.474 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.805 HG22 ' HG3' ' A' ' 106' ' ' MET . 46.4 t -91.8 99.23 9.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.905 0.383 . . . . 0.0 111.125 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.575 ' HG3' ' CE1' ' A' ' 116' ' ' PHE . 3.2 ptpt -115.34 161.76 18.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.407 HG13 ' O ' ' A' ' 115' ' ' VAL . 4.4 p -101.56 119.45 49.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.629 ' CD2' HG22 ' A' ' 38' ' ' VAL . 34.1 m-85 -96.94 177.76 5.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.757 HD13 ' CZ2' ' A' ' 46' ' ' TRP . 4.5 tp -125.9 144.42 50.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.469 HG21 HD22 ' A' ' 128' ' ' LEU . 19.4 mt -124.52 105.81 15.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.6 t -106.19 126.69 52.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.831 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.897 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -153.61 178.99 9.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.129 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 122' ' ' SER . 24.2 t -56.41 143.88 33.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.854 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 121' ' ' SER . 3.2 p -36.36 -41.36 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -82.28 -61.75 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.939 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -38.04 -39.07 0.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.585 ' CG2' HD11 ' A' ' 101' ' ' ILE . 36.1 m -58.58 -66.66 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -38.58 -34.65 0.27 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.492 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -65.93 -69.51 0.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.859 0.361 . . . . 0.0 110.866 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.822 HD11 HD12 ' A' ' 101' ' ' ILE . 1.7 pp -45.8 -38.49 7.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.539 ' HB2' HD13 ' A' ' 101' ' ' ILE . 38.2 t80 -64.93 -65.57 0.65 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -41.29 -38.27 1.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.947 ' HB1' HD22 ' A' ' 56' ' ' LEU . . . -63.49 -72.74 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.05 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.754 HD21 HD21 ' A' ' 71' ' ' LEU . 10.8 mp -39.4 -67.54 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -40.9 -66.74 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.812 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 55.2 t60 -43.77 -51.6 7.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.752 ' HD2' HD21 ' A' ' 56' ' ' LEU . 2.6 mmp_? -48.01 -32.72 6.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' A' ' 139' ' ' LEU . 3.6 mm -75.78 -53.89 14.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 43.0 mt -39.36 -37.92 0.49 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.98 -39.79 90.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 136' ' ' ILE . 2.6 mt -72.45 -47.64 47.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 12.4 mtp180 -59.63 -42.41 92.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.4 m -55.3 -26.03 37.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' ARG . . . . . 0.464 ' CZ ' ' HB ' ' A' ' 66' ' ' THR . 39.8 mtt-85 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.93 0.395 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -116.59 123.11 46.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.4 HG21 HD23 ' A' ' 56' ' ' LEU . 16.7 m -93.51 -27.58 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.188 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.447 ' O ' HD12 ' A' ' 30' ' ' LEU . 2.5 pp -169.35 126.97 0.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.896 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 1.1 ' CD ' HD11 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -129.94 142.75 50.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.35 139.06 5.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -61.51 129.84 43.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.429 ' SG ' HG22 ' A' ' 118' ' ' ILE . 4.8 t -148.84 172.69 14.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.601 ' HD2' ' CZ ' ' A' ' 37' ' ' PHE . 17.2 ttmt -113.9 149.43 35.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.429 HD23 ' HB3' ' A' ' 49' ' ' ARG . 10.8 tp -118.98 125.3 49.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.601 ' CZ ' ' HD2' ' A' ' 35' ' ' LYS . 76.9 m-85 -112.96 141.91 46.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.952 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.534 HG13 ' O ' ' A' ' 38' ' ' VAL . 5.1 p -126.99 122.46 60.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.202 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.534 ' CE2' ' HA ' ' A' ' 41' ' ' LYS . 66.2 t80 -62.96 137.61 58.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 42' ' ' THR . 39.6 t0 -119.88 86.12 2.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.821 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.534 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -33.37 -33.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.92 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.508 ' N ' ' O ' ' A' ' 40' ' ' ASP . 23.2 m -60.72 -49.66 76.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.133 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 40' ' ' ASP . 42.4 t -94.44 -8.54 38.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.819 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 52.5 40.98 30.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.4 m -155.92 168.65 26.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -74.38 133.45 42.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 40.5 t -127.25 140.79 48.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.079 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -60.85 114.76 3.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.812 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.429 ' HB3' HD23 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -93.58 -45.01 7.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -177.13 129.01 1.39 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -117.33 138.45 51.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.845 0.355 . . . . 0.0 110.941 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 178.24 -126.73 1.1 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.488 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.1 HD11 ' CD ' ' A' ' 31' ' ' GLN . 55.9 tp -114.86 113.51 24.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.873 0.368 . . . . 0.0 110.956 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.573 HD12 ' O ' ' A' ' 72' ' ' VAL . 3.4 tp -100.4 134.97 42.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.8 ptt180 -151.51 153.86 35.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.772 HD22 ' NE ' ' A' ' 135' ' ' ARG . 4.8 tp -98.84 111.2 23.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -93.26 139.1 31.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -100.67 124.47 46.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.82 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.499 ' O ' ' N ' ' A' ' 68' ' ' GLN . 24.8 ptt? -128.39 153.97 46.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.844 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -80.36 152.31 28.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.091 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.461 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.7 OUTLIER -87.86 153.37 21.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.818 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.61 -45.64 6.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.138 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -90.12 -10.71 43.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 142' ' ' ARG . 37.4 m-20 -120.48 -16.71 8.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.461 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 54.64 12.32 3.37 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.405 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.2 t -100.76 174.63 5.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 0.0 111.155 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -67.36 100.76 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 59' ' ' MET . 6.1 mm-40 -88.69 169.23 11.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.423 ' CB ' HD12 ' A' ' 87' ' ' LEU . 17.1 m -135.82 160.9 37.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.6 ttm-85 -152.91 150.77 29.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.3 mt -96.77 114.7 26.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.573 ' O ' HD12 ' A' ' 54' ' ' LEU . 2.1 t -115.75 147.22 19.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.733 ' SD ' HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -148.43 109.81 4.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.643 ' NH2' HD23 ' A' ' 79' ' ' LEU . 27.8 mtp180 -105.9 129.3 54.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.491 HG23 HD12 ' A' ' 82' ' ' ILE . 17.0 p -72.58 144.35 47.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.457 ' O ' ' C ' ' A' ' 77' ' ' GLY . 1.9 pp0? -57.43 -44.99 85.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 76' ' ' GLN . . . -33.67 -84.32 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.523 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 86.1 p -130.6 46.04 2.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.941 0.4 . . . . 0.0 110.83 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.643 HD23 ' NH2' ' A' ' 74' ' ' ARG . 9.8 mp 41.41 38.5 0.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -76.85 110.04 11.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.817 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.665 HD11 ' O ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -62.75 130.4 44.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.733 HD11 ' SD ' ' A' ' 73' ' ' MET . 0.2 OUTLIER -126.32 -26.01 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.078 179.858 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.665 ' O ' HD11 ' A' ' 81' ' ' LEU . 9.4 tp -124.09 129.78 51.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -161.58 105.02 1.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 4.8 t -148.33 132.39 17.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -75.51 125.06 28.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.609 HD23 ' CE ' ' A' ' 91' ' ' MET . 16.4 mt -58.11 148.21 27.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.592 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 46.1 p90 -129.67 157.86 40.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.35 -44.21 65.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.071 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.592 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 50.1 mm-40 -84.06 32.54 0.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.609 ' CE ' HD23 ' A' ' 87' ' ' LEU . 1.9 tpp -72.41 145.46 47.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -108.72 116.59 32.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.604 HD12 ' CD2' ' A' ' 132' ' ' LEU . 1.1 tt -149.02 123.41 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.136 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -130.25 144.6 51.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.539 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 16.7 tptp -80.46 101.34 9.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.2 -44.0 66.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.174 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.1 m -167.07 -175.91 3.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.568 ' O ' HG21 ' A' ' 125' ' ' THR . 7.7 tt0 -72.11 -33.64 68.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -112.68 28.11 9.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.403 ' C ' HG13 ' A' ' 101' ' ' ILE . 2.4 p -159.57 144.18 15.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.674 ' HB ' HD12 ' A' ' 118' ' ' ILE . 13.2 mt -141.87 153.52 19.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.15 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.732 ' CE1' ' CD1' ' A' ' 117' ' ' LEU . 5.6 m80 -122.95 119.84 31.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.479 ' C ' HD12 ' A' ' 103' ' ' ILE . 1.3 pp -139.49 147.91 23.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 16.1 p -97.81 125.68 42.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -143.93 158.62 43.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.155 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.722 ' HG3' HG22 ' A' ' 113' ' ' VAL . 9.6 mtt -86.69 161.44 18.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -103.8 164.34 11.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.818 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 68.4 p -91.86 -34.61 14.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.182 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -100.77 -51.32 3.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.832 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -64.15 -25.83 68.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 53.76 43.67 30.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -139.16 151.18 21.67 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.722 HG22 ' HG3' ' A' ' 106' ' ' MET . 51.7 t -81.24 97.59 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.895 0.379 . . . . 0.0 111.109 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.59 ' HG3' ' CZ ' ' A' ' 116' ' ' PHE . 0.5 OUTLIER -112.9 157.82 20.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.47 ' O ' HG13 ' A' ' 115' ' ' VAL . 6.5 p -98.52 116.16 40.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.173 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.59 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 70.0 m-85 -95.8 177.57 5.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.732 ' CD1' ' CE1' ' A' ' 102' ' ' HIS . 3.3 tp -122.98 158.11 31.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.971 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.692 HG21 ' CD2' ' A' ' 128' ' ' LEU . 2.9 mt -134.92 103.15 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.172 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 13.3 t -102.29 120.23 40.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.46 ' HB1' ' CB ' ' A' ' 124' ' ' ASP . . . -151.89 172.48 16.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.061 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.468 ' O ' ' C ' ' A' ' 122' ' ' SER . 8.8 m -65.16 146.99 54.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.826 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.468 ' C ' ' O ' ' A' ' 121' ' ' SER . 30.4 p -33.27 -45.31 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.783 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 24.9 tptt -68.06 -61.71 1.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.46 ' CB ' ' HB1' ' A' ' 120' ' ' ALA . 44.4 m-20 -44.46 -59.87 2.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.624 HG23 HD11 ' A' ' 101' ' ' ILE . 21.8 m -46.97 -64.21 0.84 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.158 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -39.52 -46.13 2.73 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -57.7 -66.02 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.329 . . . . 0.0 110.929 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.692 ' CD2' HG21 ' A' ' 118' ' ' ILE . 7.5 tp -45.35 -69.34 0.14 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.961 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.539 ' CZ ' ' HB2' ' A' ' 95' ' ' LYS . 41.6 t80 -41.19 -59.55 1.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.976 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -46.35 -38.07 8.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.126 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 132' ' ' LEU . . . -72.04 -60.15 2.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.604 ' CD2' HD12 ' A' ' 93' ' ' ILE . 3.4 mp -36.72 -69.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.963 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.454 ' C ' ' O ' ' A' ' 132' ' ' LEU . 11.2 t-160 -33.53 -55.52 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.459 ' HA ' HD12 ' A' ' 137' ' ' LEU . 1.0 OUTLIER -55.91 -44.87 78.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.772 ' NE ' HD22 ' A' ' 56' ' ' LEU . 72.7 mtt180 -48.87 -37.85 20.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.512 ' N ' HD13 ' A' ' 136' ' ' ILE . 2.1 mm -73.88 -47.21 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.141 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.474 ' HA ' ' CG ' ' A' ' 140' ' ' ARG . 38.8 mt -44.12 -40.27 4.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.11 -32.49 74.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 136' ' ' ILE . 2.1 mt -83.26 -57.95 3.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.474 ' CG ' ' HA ' ' A' ' 137' ' ' LEU . 2.1 ptm180 -54.68 -25.21 25.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.5 m -68.89 -27.25 65.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' ARG . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 64' ' ' ASP . 13.6 mtp85 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.5 m . . . . . 0 C--O 1.23 0.031 0 CA-C-O 120.982 0.42 . . . . 0.0 110.79 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -117.17 116.82 28.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 1.114 HG11 HD23 ' A' ' 56' ' ' LEU . 8.8 p -96.88 -30.72 3.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.104 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.572 ' O ' HD12 ' A' ' 30' ' ' LEU . 3.2 pp -166.92 133.01 2.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.847 ' CG ' HD11 ' A' ' 53' ' ' LEU . 35.7 tt0 -132.42 140.35 48.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.958 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.06 136.83 5.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -63.85 127.31 30.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.702 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.8 t -145.06 -179.24 6.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -126.69 156.32 41.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.518 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 10.8 tp -119.86 139.71 51.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.518 ' CD1' ' O ' ' A' ' 36' ' ' LEU . 12.9 m-85 -140.86 137.65 33.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.553 HG22 ' HB2' ' A' ' 49' ' ' ARG . 6.9 m -122.08 153.42 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -90.76 130.77 36.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 42' ' ' THR . 18.5 t0 -125.59 106.23 9.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -38.4 -26.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.978 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.495 ' N ' ' O ' ' A' ' 40' ' ' ASP . 29.4 m -60.63 -48.17 82.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.1 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.0 m -95.44 -23.13 17.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 67.13 33.1 5.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.4 m -162.2 -177.13 5.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 63.9 m95 -76.54 127.76 33.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 48' ' ' GLU . 90.6 t -118.1 152.87 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.413 ' N ' HG12 ' A' ' 47' ' ' VAL . 20.2 tt0 -71.6 114.95 10.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.553 ' HB2' HG22 ' A' ' 38' ' ' VAL . 0.4 OUTLIER -105.58 -43.48 4.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 -179.867 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -174.18 117.8 0.65 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.6 ptt85 -115.61 141.22 48.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 0.0 110.862 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.445 ' N ' ' CE ' ' A' ' 73' ' ' MET . . . 169.89 -126.98 1.41 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.516 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.847 HD11 ' CG ' ' A' ' 31' ' ' GLN . 47.5 tp -102.04 144.72 30.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.891 0.377 . . . . 0.0 110.924 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.735 HD12 ' O ' ' A' ' 72' ' ' VAL . 4.1 tp -138.24 131.66 30.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.943 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.37 151.12 31.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 1.114 HD23 HG11 ' A' ' 29' ' ' VAL . 4.5 tp -90.82 112.4 24.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.41 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 5.1 p30 -92.19 135.38 34.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.471 ' C ' ' OD1' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -93.6 141.81 28.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 24.9 ptt? -152.87 147.39 25.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.11 152.02 23.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.464 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.5 OUTLIER -82.39 156.19 24.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.752 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.95 -53.77 3.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.148 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -84.01 -11.61 56.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -117.78 -18.01 9.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.464 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 52.42 14.08 2.14 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.453 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.694 HG21 ' NE ' ' A' ' 142' ' ' ARG . 11.9 t -97.53 175.0 6.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.756 0.312 . . . . 0.0 111.199 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.735 ' O ' HD13 ' A' ' 67' ' ' LEU . 2.7 tm? -66.52 99.43 0.57 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.96 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.638 HE22 ' HD3' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -93.9 168.38 11.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.3 m -154.89 162.39 41.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -148.24 165.33 31.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.982 HD21 HD11 ' A' ' 132' ' ' LEU . 5.7 mt -105.37 122.93 46.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.973 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.735 ' O ' HD12 ' A' ' 54' ' ' LEU . 2.3 t -124.68 146.79 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.165 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.445 ' CE ' ' N ' ' A' ' 52' ' ' GLY . 10.2 tpt -146.9 108.98 4.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 22.8 mtp85 -95.77 135.03 38.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.432 HG23 HD12 ' A' ' 82' ' ' ILE . 18.2 p -77.55 155.68 31.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -77.11 167.11 22.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.05 -47.47 2.26 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.478 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 56.1 p -143.99 137.94 28.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 0.0 110.85 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.495 ' CD2' ' N ' ' A' ' 79' ' ' LEU . 1.2 mm? -68.19 71.22 0.17 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -109.18 110.3 21.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.653 HD13 ' N ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -76.56 134.11 39.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.658 ' H ' HD13 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -127.31 -27.68 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.885 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.564 ' O ' HD11 ' A' ' 81' ' ' LEU . 3.0 tp -121.0 115.85 23.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -147.01 105.0 3.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.654 HG21 ' HB1' ' A' ' 105' ' ' ALA . 4.6 t -146.26 156.37 43.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.638 ' HD3' HE22 ' A' ' 68' ' ' GLN . 3.7 tmmm? -93.27 149.79 20.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.958 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.607 HD21 ' HG ' ' A' ' 71' ' ' LEU . 26.2 mt -88.7 133.34 34.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.87 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.604 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 46.8 p90 -120.68 158.08 28.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.491 ' HB1' ' HA ' ' A' ' 140' ' ' ARG . . . -53.21 -42.62 66.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.071 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.604 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 70.2 mm-40 -85.08 32.11 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.607 ' SD ' HD22 ' A' ' 87' ' ' LEU . 2.3 ttm -77.02 140.6 40.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -98.33 116.41 30.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.428 ' CD1' ' HB3' ' A' ' 132' ' ' LEU . 2.1 tt -151.83 117.66 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -134.69 130.9 37.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.821 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.513 ' HD3' ' CD2' ' A' ' 129' ' ' TYR . 12.4 tptm -62.84 93.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.732 ' HB2' ' ND1' ' A' ' 102' ' ' HIS . . . -61.39 -48.35 81.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 t -149.23 172.6 14.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -70.0 -22.74 63.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -112.95 -8.11 13.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 69.9 m -127.76 150.28 49.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.894 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.443 HD12 ' HB ' ' A' ' 118' ' ' ILE . 8.7 mt -133.41 138.64 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.732 ' ND1' ' HB2' ' A' ' 96' ' ' ALA . 7.2 m170 -105.25 107.62 18.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.57 HD13 HD13 ' A' ' 71' ' ' LEU . 1.0 OUTLIER -130.96 147.24 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 42.4 p -103.26 127.26 50.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.654 ' HB1' HG21 ' A' ' 85' ' ' THR . . . -144.34 169.72 17.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.477 ' HG3' HG22 ' A' ' 113' ' ' VAL . 28.2 mtt -99.39 163.19 12.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -106.32 157.42 17.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.833 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 78.1 p -79.67 -36.16 38.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.06 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -98.1 -50.97 4.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.838 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 111' ' ' GLN . 3.0 t70 -70.11 -12.46 61.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 110' ' ' ASP . 14.6 mt-30 34.54 47.23 0.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.815 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -140.21 149.63 21.0 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.442 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.477 HG22 ' HG3' ' A' ' 106' ' ' MET . 64.6 t -79.33 107.51 11.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.863 0.363 . . . . 0.0 111.142 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.569 ' HG3' ' CE2' ' A' ' 116' ' ' PHE . 0.6 OUTLIER -119.15 158.36 26.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 179.874 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 82.2 t -81.87 109.54 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.161 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.569 ' CE2' ' HG3' ' A' ' 114' ' ' LYS . 57.3 m-85 -97.54 156.1 16.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.579 HD12 ' CD2' ' A' ' 102' ' ' HIS . 3.2 tp -122.5 156.66 33.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.445 HG22 ' SG ' ' A' ' 34' ' ' CYS . 32.5 mt -131.83 95.63 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.074 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 36.8 t -87.77 100.26 12.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.702 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -132.44 172.34 12.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 123' ' ' LYS . 2.7 t -68.16 144.7 54.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 121' ' ' SER . 24.0 p -37.1 -32.25 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.834 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 121' ' ' SER . 19.9 tptm -78.32 -59.51 2.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.882 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -55.79 -53.73 53.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 52.5 m -41.02 -49.93 3.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.147 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -57.37 -44.87 93.38 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -57.54 -60.3 3.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.751 0.31 . . . . 0.0 110.859 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.511 ' HG ' HD21 ' A' ' 54' ' ' LEU . 0.7 OUTLIER -50.95 -67.67 0.23 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.946 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.513 ' CD2' ' HD3' ' A' ' 95' ' ' LYS . 40.6 t80 -46.4 -60.71 2.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -41.41 -45.25 3.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.06 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.577 ' HB1' HD22 ' A' ' 56' ' ' LEU . . . -63.78 -62.58 1.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.982 HD11 HD21 ' A' ' 71' ' ' LEU . 0.6 OUTLIER -37.98 -70.88 0.09 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.503 ' CE1' HD21 ' A' ' 137' ' ' LEU . 3.0 t-160 -32.89 -68.58 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.502 ' HA ' HD12 ' A' ' 137' ' ' LEU . 6.7 t-80 -41.64 -61.29 1.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.842 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.723 ' NE ' HD21 ' A' ' 56' ' ' LEU . 12.3 mmt180 -35.99 -39.86 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.819 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.433 HG12 ' HB3' ' A' ' 91' ' ' MET . 4.4 mp -83.62 -44.49 18.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.167 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.503 HD21 ' CE1' ' A' ' 133' ' ' HIS . 83.1 mt -47.26 -29.32 2.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.917 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -77.82 -30.35 51.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.163 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 5.7 mt -78.93 -56.7 4.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.491 ' HA ' ' HB1' ' A' ' 89' ' ' ALA . 5.8 ptm180 -45.34 -28.76 0.89 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.811 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 40.1 t -70.37 -50.16 41.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' ARG . . . . . 0.694 ' NE ' HG21 ' A' ' 66' ' ' THR . 4.2 mtm105 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.2 m . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.858 0.361 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -141.87 134.14 27.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.498 ' CG2' HD23 ' A' ' 56' ' ' LEU . 4.4 m -108.89 -33.08 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.447 ' O ' HD12 ' A' ' 30' ' ' LEU . 4.0 pp -156.74 134.17 10.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.968 ' CG ' HD11 ' A' ' 53' ' ' LEU . 33.0 tt0 -134.83 132.41 38.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.467 ' CE ' ' HB3' ' A' ' 124' ' ' ASP . 0.2 OUTLIER -155.7 133.97 11.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.911 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -62.26 123.21 17.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.581 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.6 t -138.91 -176.25 4.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.421 ' HD3' ' CZ ' ' A' ' 37' ' ' PHE . 33.7 tttp -125.35 151.92 45.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.9 tp -115.57 139.46 50.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.421 ' CZ ' ' HD3' ' A' ' 35' ' ' LYS . 64.2 m-85 -130.69 154.85 47.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.833 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.478 ' CG1' ' CE1' ' A' ' 116' ' ' PHE . 2.5 m -144.15 144.08 22.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.138 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.413 ' CZ ' ' HA ' ' A' ' 44' ' ' GLN . 29.4 t80 -89.5 124.14 34.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 42' ' ' THR . 4.8 t0 -118.53 105.04 11.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 40' ' ' ASP . 11.4 ttmt -33.95 -33.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.924 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 40' ' ' ASP . 32.9 m -56.84 -51.01 70.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.144 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 40' ' ' ASP . 44.8 t -89.2 -26.87 21.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.889 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.413 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 7.4 mm100 68.76 36.11 2.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.86 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 t -165.55 -177.82 4.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.806 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 73.3 m95 -73.87 132.35 42.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 92.9 t -124.15 148.89 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.15 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -70.3 115.28 9.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.472 ' HB2' HG22 ' A' ' 38' ' ' VAL . 1.2 tmt_? -96.07 -43.08 7.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -176.81 126.01 1.08 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -112.29 144.86 41.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.91 0.386 . . . . 0.0 110.818 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 165.41 -124.35 1.24 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.469 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.968 HD11 ' CG ' ' A' ' 31' ' ' GLN . 53.6 tp -108.83 145.57 35.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.819 0.343 . . . . 0.0 110.922 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.6 HD12 ' O ' ' A' ' 72' ' ' VAL . 2.5 tp -141.5 130.1 22.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.466 ' NH2' ' NE ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -151.49 151.14 31.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.825 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.625 HD22 ' HB1' ' A' ' 131' ' ' ALA . 2.3 tp -89.65 111.04 21.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -94.53 154.12 17.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.549 ' CG ' HD21 ' A' ' 67' ' ' LEU . 6.2 t0 -108.26 142.36 38.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.506 ' O ' ' N ' ' A' ' 68' ' ' GLN . 18.9 ptt? -150.06 146.7 27.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.16 156.59 31.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.17 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.491 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.5 OUTLIER -87.81 158.14 18.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.865 -179.773 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.77 -49.05 4.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.182 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -88.43 -12.73 42.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -117.29 -18.22 9.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.491 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 52.81 20.6 8.27 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.505 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.49 HG21 ' NE ' ' A' ' 142' ' ' ARG . 11.3 t -105.36 174.92 5.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.826 0.346 . . . . 0.0 111.134 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.594 ' C ' HD13 ' A' ' 67' ' ' LEU . 2.5 tm? -65.5 99.38 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.96 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.506 ' N ' ' O ' ' A' ' 59' ' ' MET . 6.9 mm-40 -94.18 171.6 8.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.485 ' CB ' ' HD3' ' A' ' 135' ' ' ARG . 50.1 m -151.64 160.72 43.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.482 ' CD ' HG23 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -151.87 170.54 19.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.871 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.544 ' HG ' HD21 ' A' ' 87' ' ' LEU . 4.0 mt -105.28 118.36 36.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.6 ' O ' HD12 ' A' ' 54' ' ' LEU . 2.1 t -115.19 148.79 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.471 ' C ' ' SD ' ' A' ' 73' ' ' MET . 0.0 OUTLIER -148.95 116.59 6.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.676 ' HD3' HD12 ' A' ' 79' ' ' LEU . 68.6 mtt180 -109.9 128.68 55.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.598 HG23 HD12 ' A' ' 82' ' ' ILE . 11.8 p -72.89 159.52 33.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.106 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -85.82 115.72 23.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 148.64 -77.44 0.24 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.523 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.3 m -122.5 36.0 4.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.953 0.406 . . . . 0.0 110.9 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.676 HD12 ' HD3' ' A' ' 74' ' ' ARG . 4.3 mm? 40.03 49.89 2.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -85.61 126.32 33.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.688 HD13 ' N ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -84.53 137.99 33.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.688 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -131.7 -29.97 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.08 179.899 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.634 ' O ' HD11 ' A' ' 81' ' ' LEU . 13.8 tp -119.56 124.88 47.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -156.84 105.03 2.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.647 HG21 ' HB1' ' A' ' 105' ' ' ALA . 9.6 t -144.93 149.11 34.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.472 ' HD3' ' NE2' ' A' ' 68' ' ' GLN . 31.7 ttmt -91.67 121.14 33.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.544 HD21 ' HG ' ' A' ' 71' ' ' LEU . 12.9 mt -56.12 139.3 47.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.602 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 47.8 p90 -125.86 155.55 41.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.409 ' C ' ' H ' ' A' ' 91' ' ' MET . . . -54.11 -44.87 71.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.602 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 72.9 mm-40 -78.93 29.61 0.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.954 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.514 ' HA ' ' NE1' ' A' ' 88' ' ' TRP . 3.1 ttm -74.34 147.26 42.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -113.01 110.88 21.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.6 tt -141.99 111.87 2.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -112.06 135.8 52.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.532 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 12.8 tptp -84.83 98.28 10.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.85 -37.77 76.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.087 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.12 174.19 2.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.799 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -78.48 9.28 4.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -118.8 -31.35 4.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.412 ' C ' HG13 ' A' ' 101' ' ' ILE . 52.1 p -133.16 152.58 51.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.813 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.455 HD11 ' CG2' ' A' ' 125' ' ' THR . 14.9 mt -140.33 138.51 36.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.103 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -103.16 116.59 32.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.536 HD13 HD13 ' A' ' 71' ' ' LEU . 1.3 pp -131.53 144.78 36.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 18.4 p -98.27 128.67 44.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.647 ' HB1' HG21 ' A' ' 85' ' ' THR . . . -149.18 159.75 43.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.05 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.551 ' HG3' HG22 ' A' ' 113' ' ' VAL . 12.7 mtm -89.6 173.7 8.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -110.81 161.06 16.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.864 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 62.2 p -86.37 -37.57 18.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -99.27 -48.9 4.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -70.41 -20.21 62.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.792 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 45.1 48.26 9.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -139.88 154.88 24.06 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.462 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.551 HG22 ' HG3' ' A' ' 106' ' ' MET . 93.3 t -87.95 119.92 36.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.934 0.397 . . . . 0.0 111.181 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.482 ' HD2' ' CZ ' ' A' ' 116' ' ' PHE . 8.8 ptpt -131.84 162.55 30.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 90.5 t -84.9 108.61 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.156 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.482 ' CZ ' ' HD2' ' A' ' 114' ' ' LYS . 55.3 m-85 -96.13 157.4 15.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.441 ' HG ' ' N ' ' A' ' 118' ' ' ILE . 6.1 tp -123.77 153.58 40.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.939 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.441 ' N ' ' HG ' ' A' ' 117' ' ' LEU . 62.4 mt -126.19 95.98 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 26.8 t -91.68 112.55 24.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.581 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -147.21 178.17 8.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.0 t -70.5 160.18 32.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 10.0 p -44.31 -34.23 1.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 19.8 tptm -81.1 -67.43 0.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.468 ' HB2' ' HB1' ' A' ' 120' ' ' ALA . 39.4 m-20 -41.24 -59.39 1.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.811 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.455 ' CG2' HD11 ' A' ' 101' ' ' ILE . 98.6 m -43.28 -56.33 3.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -48.0 -51.21 19.75 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.46 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -46.83 -69.41 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.828 0.347 . . . . 0.0 110.892 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.448 HD11 HD21 ' A' ' 54' ' ' LEU . 2.0 mm? -38.35 -69.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.948 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.532 ' CZ ' ' HB2' ' A' ' 95' ' ' LYS . 72.3 t80 -44.19 -50.5 8.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.44 -28.36 59.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.085 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.625 ' HB1' HD22 ' A' ' 56' ' ' LEU . . . -83.85 -51.07 7.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.18 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 133' ' ' HIS . 25.9 mt -53.71 -67.35 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.449 ' C ' ' O ' ' A' ' 132' ' ' LEU . 12.7 t-80 -33.56 -62.07 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -52.93 -47.68 67.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.485 ' HD3' ' CB ' ' A' ' 69' ' ' SER . 2.7 mmp_? -52.68 -37.95 59.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.801 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.481 ' N ' HD13 ' A' ' 136' ' ' ILE . 3.1 mm -67.96 -48.09 76.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.474 ' HA ' ' CG ' ' A' ' 140' ' ' ARG . 22.4 mt -46.86 -41.99 16.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.57 -40.85 93.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.065 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.3 mt -67.9 -51.67 45.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.474 ' CG ' ' HA ' ' A' ' 137' ' ' LEU . 10.4 ptm180 -65.04 -21.42 66.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 18.7 t -73.4 -29.48 62.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.8 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' ARG . . . . . 0.49 ' NE ' HG21 ' A' ' 66' ' ' THR . 20.8 mtt-85 . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.489 ' CB ' ' OD1' ' A' ' 58' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.931 0.396 . . . . 0.0 110.809 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -103.39 108.06 19.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.806 HG21 HD23 ' A' ' 56' ' ' LEU . 2.3 m -77.82 -44.92 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.506 ' N ' ' CG2' ' A' ' 29' ' ' VAL . 3.6 pp -159.63 150.4 19.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.886 ' CG ' HD11 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -142.7 147.61 35.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.442 ' N ' ' HG2' ' A' ' 31' ' ' GLN . 2.7 ptm -168.55 143.64 3.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -72.86 117.49 14.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.95 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.864 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.8 t -134.61 176.05 8.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.875 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -120.83 137.43 54.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.909 HD21 ' CD1' ' A' ' 116' ' ' PHE . 5.8 tp -103.05 137.01 41.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.527 ' HD2' HD23 ' A' ' 117' ' ' LEU . 22.3 m-85 -136.34 117.78 14.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.655 HG11 ' CE1' ' A' ' 116' ' ' PHE . 28.6 m -109.56 152.33 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -87.02 127.31 35.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 42' ' ' THR . 66.9 t0 -119.64 98.62 6.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 40' ' ' ASP . 2.9 ttmm -33.54 -33.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 40' ' ' ASP . 86.4 m -55.38 -50.68 69.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 40' ' ' ASP . 5.9 p -91.59 -25.99 18.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 68.8 30.7 4.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 56.0 m -149.92 -177.69 6.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 85.1 m95 -81.69 100.65 9.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.963 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 89.2 t -99.19 130.84 47.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.125 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -68.61 134.57 50.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.08 -5.77 19.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 146.97 124.74 1.57 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.418 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.75 156.58 20.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.881 0.372 . . . . 0.0 110.825 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 163.99 -119.49 0.88 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.525 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.886 HD11 ' CG ' ' A' ' 31' ' ' GLN . 37.2 tp -112.19 134.56 53.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.822 0.344 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.564 HD12 ' O ' ' A' ' 72' ' ' VAL . 4.7 tp -127.55 131.48 50.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.915 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.59 150.78 30.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.806 HD23 HG21 ' A' ' 29' ' ' VAL . 3.5 tp -94.36 117.69 30.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -102.6 143.25 32.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.803 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.489 ' OD1' ' CB ' ' A' ' 27' ' ' SER . 0.5 OUTLIER -100.19 145.2 28.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 179.847 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.479 ' O ' ' N ' ' A' ' 68' ' ' GLN . 24.6 ptt? -151.22 151.86 32.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -82.33 154.19 25.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.056 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.442 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 1.1 t -87.31 157.91 19.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.42 -55.2 2.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.78 -6.84 59.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -122.0 -20.47 6.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.442 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 55.39 12.63 4.62 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.463 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.2 t -98.15 172.78 7.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 0.0 111.172 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -66.2 100.96 0.66 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -92.15 167.83 11.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.872 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.5 m -136.87 159.66 41.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -148.19 152.85 37.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.491 HD21 HD21 ' A' ' 132' ' ' LEU . 13.8 mt -104.54 120.05 40.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.564 ' O ' HD12 ' A' ' 54' ' ' LEU . 2.2 t -123.43 147.23 27.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.068 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 10.9 tpt -148.32 105.86 3.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 58.4 mtm180 -90.89 138.3 31.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.832 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.85 HG23 HD12 ' A' ' 82' ' ' ILE . 19.0 p -91.74 132.0 36.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.076 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -47.87 170.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.91 -75.71 2.17 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.433 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 97.1 p -122.33 22.19 10.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.903 0.382 . . . . 0.0 110.883 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.2 mp 40.43 41.17 0.99 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.9 ttt-85 -70.59 136.87 49.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.694 HD11 ' O ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -87.36 128.55 35.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.85 HD12 HG23 ' A' ' 75' ' ' THR . 0.2 OUTLIER -127.2 -16.01 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.113 179.888 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.694 ' O ' HD11 ' A' ' 81' ' ' LEU . 2.3 tp -132.22 124.88 29.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.521 ' N ' HD12 ' A' ' 83' ' ' LEU . 2.7 t-20 -157.88 105.57 1.99 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.842 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.533 HG21 ' CB ' ' A' ' 105' ' ' ALA . 4.8 t -143.68 141.51 30.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.457 ' HG3' ' CE ' ' A' ' 59' ' ' MET . 13.6 ttpt -84.75 117.03 23.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.808 HD23 ' CE ' ' A' ' 91' ' ' MET . 8.2 mt -56.51 148.06 20.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.548 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 40.5 p90 -129.93 161.04 31.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.29 -46.13 72.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.112 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.548 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 40.9 mm-40 -83.35 32.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.962 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.808 ' CE ' HD23 ' A' ' 87' ' ' LEU . 4.3 tpp -73.99 141.08 45.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -101.05 105.82 17.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.502 HG22 ' HG3' ' A' ' 91' ' ' MET . 2.1 tt -145.64 119.85 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -138.64 143.63 39.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.455 ' HE3' HG22 ' A' ' 125' ' ' THR . 5.9 tptm -76.9 94.03 3.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.45 -33.72 76.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.075 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.2 t -153.28 174.48 14.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -81.67 -5.72 58.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -128.36 -6.93 5.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.2 m -133.24 149.76 51.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.783 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.44 ' CD1' HD21 ' A' ' 128' ' ' LEU . 5.5 mt -135.44 147.96 28.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.123 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 3.3 m80 -114.95 100.67 8.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.516 ' C ' HD12 ' A' ' 103' ' ' ILE . 1.1 pp -117.75 141.55 36.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 19.5 p -99.29 114.59 27.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.104 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.533 ' CB ' HG21 ' A' ' 85' ' ' THR . . . -131.16 157.44 43.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.686 ' HG3' HG22 ' A' ' 113' ' ' VAL . 23.8 mtt -89.38 151.92 21.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -88.55 159.01 18.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 72.4 p -78.72 -42.68 27.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -96.31 -50.2 4.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -67.23 -17.37 64.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 40.67 45.25 1.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -134.64 142.22 13.65 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.512 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.686 HG22 ' HG3' ' A' ' 106' ' ' MET . 58.5 t -74.2 103.59 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.93 0.395 . . . . 0.0 111.093 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.582 ' HG3' ' CE2' ' A' ' 116' ' ' PHE . 1.2 ptpm? -112.12 162.48 15.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 86.6 t -83.44 107.39 14.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.146 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.909 ' CD1' HD21 ' A' ' 36' ' ' LEU . 46.3 m-85 -95.72 140.57 30.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.814 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.527 HD23 ' HD2' ' A' ' 37' ' ' PHE . 3.2 tp -109.06 158.38 17.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.951 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.661 HG21 HD11 ' A' ' 128' ' ' LEU . 16.8 mt -137.96 105.06 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 48.3 t -99.9 109.4 21.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.864 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -140.14 173.63 11.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 6.6 t -52.53 148.3 7.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.3 p -40.73 -39.47 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 14.3 tptp -82.91 -60.05 2.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 127' ' ' GLN . 1.0 OUTLIER -41.49 -56.54 2.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.842 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.455 HG22 ' HE3' ' A' ' 95' ' ' LYS . 99.8 m -41.03 -34.53 0.43 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -80.51 -30.36 40.75 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.525 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 124' ' ' ASP . 7.4 mt-30 -56.61 -69.21 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.815 0.341 . . . . 0.0 110.936 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.661 HD11 HG21 ' A' ' 118' ' ' ILE . 0.8 OUTLIER -55.72 -34.09 64.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.448 ' N ' ' HG ' ' A' ' 128' ' ' LEU . 38.0 t80 -61.11 -62.77 1.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -45.93 -25.28 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.074 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.716 ' HB1' ' CD2' ' A' ' 56' ' ' LEU . . . -79.56 -63.6 1.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.108 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.591 ' O ' HD12 ' A' ' 136' ' ' ILE . 10.4 mp -41.67 -64.61 0.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -37.95 -62.05 0.59 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.815 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.5 ' O ' ' N ' ' A' ' 136' ' ' ILE . 47.9 t60 -49.02 -59.81 3.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.646 ' HE ' HD21 ' A' ' 56' ' ' LEU . 12.9 mmt180 -36.85 -29.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.591 HD12 ' O ' ' A' ' 132' ' ' LEU . 4.1 mp -91.18 -46.88 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.075 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.44 ' HA ' ' CG ' ' A' ' 140' ' ' ARG . 66.9 mt -47.2 -29.8 2.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -75.34 -35.04 61.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.8 mt -75.17 -47.04 30.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.44 ' CG ' ' HA ' ' A' ' 137' ' ' LEU . 6.2 ptm180 -64.24 -13.36 48.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.817 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 35.7 t -82.53 -24.06 34.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 25.8 mtp85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.942 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.922 0.392 . . . . 0.0 110.791 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -124.54 80.65 1.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 66.9 t -39.28 -69.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.144 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.4 pp -144.03 134.68 24.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.867 ' CG ' HD11 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -124.89 129.44 50.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.925 179.893 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.99 123.48 6.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -45.34 134.73 6.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.638 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.8 t -154.31 173.57 15.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.541 ' HD3' ' CZ ' ' A' ' 37' ' ' PHE . 36.6 tttt -114.4 155.25 26.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.4 tp -123.43 137.57 54.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.953 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.541 ' CZ ' ' HD3' ' A' ' 35' ' ' LYS . 59.4 m-85 -130.35 163.59 26.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.697 ' CG1' ' CE1' ' A' ' 116' ' ' PHE . 2.8 m -150.88 152.34 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -100.24 117.51 34.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.504 ' O ' ' N ' ' A' ' 42' ' ' THR . 16.6 t0 -110.25 103.86 12.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.839 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 40' ' ' ASP . 1.7 ttmm -34.38 -32.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.504 ' N ' ' O ' ' A' ' 40' ' ' ASP . 89.3 m -57.1 -49.92 74.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 40' ' ' ASP . 7.5 t -90.93 -26.13 19.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 70.3 31.71 3.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.8 m -160.21 -178.03 6.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.781 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 60.7 m95 -76.17 142.8 41.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.964 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 86.0 t -130.22 147.53 33.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.111 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -72.48 95.02 1.73 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.768 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -70.71 -59.97 2.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -170.4 120.29 0.85 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.493 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.09 145.75 29.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.859 0.361 . . . . 0.0 110.854 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.547 ' N ' ' CE ' ' A' ' 73' ' ' MET . . . 174.45 -125.92 1.15 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.525 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.867 HD11 ' CG ' ' A' ' 31' ' ' GLN . 29.0 tp -111.22 115.99 30.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.86 0.362 . . . . 0.0 110.903 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.5 HD12 ' O ' ' A' ' 72' ' ' VAL . 4.7 tp -102.67 137.68 40.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -151.19 152.03 32.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 1.029 HD22 ' HB1' ' A' ' 131' ' ' ALA . 2.7 tp -102.62 109.51 21.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.7 p-10 -92.4 154.9 18.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -122.75 137.1 55.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.519 ' O ' ' N ' ' A' ' 68' ' ' GLN . 12.3 ptt? -146.64 153.21 40.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.32 150.69 36.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.085 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.516 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -86.24 154.69 21.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.863 -179.76 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.501 HG23 ' N ' ' A' ' 63' ' ' ASP . 5.9 t -99.22 -48.3 4.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.145 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.501 ' N ' HG23 ' A' ' 62' ' ' THR . 3.7 t70 -87.84 -13.99 40.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.429 ' HB3' HG22 ' A' ' 66' ' ' THR . 5.7 m-20 -116.56 -18.39 10.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.817 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.516 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 56.32 11.22 4.77 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.51 HG21 ' HD2' ' A' ' 142' ' ' ARG . 7.4 t -99.94 175.01 5.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.783 0.325 . . . . 0.0 111.123 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.484 ' C ' HD13 ' A' ' 67' ' ' LEU . 2.0 tm? -64.49 99.99 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.893 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.519 ' N ' ' O ' ' A' ' 59' ' ' MET . 4.1 mm-40 -90.8 170.33 10.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.491 ' CB ' ' HG2' ' A' ' 135' ' ' ARG . 7.4 m -159.07 170.01 22.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.471 ' HB3' ' HE2' ' A' ' 59' ' ' MET . 5.0 ptp180 -154.84 153.69 31.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 1.008 HD21 HD21 ' A' ' 132' ' ' LEU . 8.5 mt -92.33 116.71 29.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.5 ' O ' HD12 ' A' ' 54' ' ' LEU . 2.3 t -118.93 147.15 22.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.206 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.547 ' CE ' ' N ' ' A' ' 52' ' ' GLY . 12.3 tpt -149.58 105.8 3.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.595 ' HD2' HD22 ' A' ' 79' ' ' LEU . 82.2 mtm180 -96.69 132.21 42.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.6 p -68.31 162.09 25.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -90.26 92.77 9.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 167.64 -95.78 0.12 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.448 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 79' ' ' LEU . 3.5 m -102.07 39.8 1.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.93 0.395 . . . . 0.0 110.876 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.595 HD22 ' HD2' ' A' ' 74' ' ' ARG . 29.9 mt 37.81 53.56 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.954 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -90.34 114.09 26.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.846 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.673 HD13 ' N ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -77.72 137.0 38.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.683 ' H ' HD13 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -130.09 -29.69 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.126 179.844 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.605 ' O ' HD11 ' A' ' 81' ' ' LEU . 6.9 tp -119.51 120.64 37.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -152.21 105.34 3.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.465 HG21 ' HB1' ' A' ' 105' ' ' ALA . 11.2 t -142.33 148.86 38.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.103 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.468 ' HD3' ' NE2' ' A' ' 68' ' ' GLN . 29.4 ttmt -93.53 119.91 33.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.545 HD23 ' HE2' ' A' ' 91' ' ' MET . 20.5 mt -56.84 141.59 44.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.931 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.552 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 41.9 p90 -123.54 162.42 22.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.37 -46.13 76.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.083 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.552 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 74.9 mm-40 -83.14 32.58 0.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.545 ' HE2' HD23 ' A' ' 87' ' ' LEU . 1.8 tpp -68.02 143.41 55.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 18.4 mp0 -109.41 109.87 20.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.0 tt -141.73 111.34 2.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.201 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -120.61 144.4 48.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.437 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 15.3 tptm -86.92 97.06 10.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.66 -39.01 88.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.0 t -154.17 -178.66 7.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -78.84 -27.82 44.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -108.74 -6.99 15.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 54.3 p -130.76 136.72 49.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.815 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.484 HD11 ' CG2' ' A' ' 125' ' ' THR . 13.6 mt -125.92 160.25 33.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.204 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.467 ' N ' HG22 ' A' ' 101' ' ' ILE . 3.3 m80 -126.24 110.32 13.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.707 HD13 HD13 ' A' ' 71' ' ' LEU . 1.3 pp -128.7 143.56 40.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.182 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 29.5 p -97.39 120.26 37.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.56 ' HB3' ' CD2' ' A' ' 116' ' ' PHE . . . -131.74 165.6 23.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.054 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.724 ' HG3' HG22 ' A' ' 113' ' ' VAL . 5.3 mtt -96.99 161.76 13.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -94.1 155.03 17.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.984 0.421 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 43.4 p -86.46 -33.19 20.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -101.25 -47.66 4.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 111' ' ' GLN . 1.1 m-20 -80.56 -4.6 54.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.938 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 110' ' ' ASP . 13.6 mt-30 34.76 50.07 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.938 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -136.59 146.81 18.8 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.494 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.724 HG22 ' HG3' ' A' ' 106' ' ' MET . 40.4 t -79.43 134.26 28.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.899 0.38 . . . . 0.0 111.206 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.439 ' HD2' ' CZ ' ' A' ' 116' ' ' PHE . 10.1 ptpt -143.95 162.67 35.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 89.0 t -84.11 108.49 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.697 ' CE1' ' CG1' ' A' ' 38' ' ' VAL . 56.6 m-85 -95.93 171.0 8.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.444 ' CD1' ' CE1' ' A' ' 102' ' ' HIS . 4.9 tp -134.02 154.73 50.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.429 HD12 ' HB ' ' A' ' 101' ' ' ILE . 9.8 mt -131.34 96.26 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.184 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 33.7 t -93.79 114.0 26.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.638 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -148.3 169.1 20.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 123' ' ' LYS . 3.5 t -53.34 140.47 27.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.809 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 121' ' ' SER . 4.2 p -37.79 -31.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.863 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 121' ' ' SER . 13.2 tptm -83.65 -59.4 2.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.896 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.6 -54.17 15.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.861 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.484 ' CG2' HD11 ' A' ' 101' ' ' ILE . 24.8 m -42.37 -57.03 2.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.186 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -46.46 -44.9 16.58 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.523 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -60.71 -60.35 3.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.88 0.371 . . . . 0.0 110.916 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.594 ' CD1' HD13 ' A' ' 132' ' ' LEU . 0.2 OUTLIER -50.64 -38.88 48.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.437 ' CZ ' ' HB2' ' A' ' 95' ' ' LYS . 32.6 t80 -65.9 -53.49 38.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.03 -49.25 69.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.149 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 1.029 ' HB1' HD22 ' A' ' 56' ' ' LEU . . . -49.96 -67.25 0.28 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.113 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 1.008 HD21 HD21 ' A' ' 71' ' ' LEU . 9.2 mp -46.81 -66.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.51 ' NE2' HD21 ' A' ' 137' ' ' LEU . 11.6 t-160 -32.8 -58.52 0.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.421 ' O ' ' N ' ' A' ' 136' ' ' ILE . 2.1 t-80 -53.09 -61.69 2.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.661 ' HD3' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -37.02 -33.26 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.502 ' N ' HD13 ' A' ' 136' ' ' ILE . 2.7 mm -76.58 -51.53 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.099 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.51 HD21 ' NE2' ' A' ' 133' ' ' HIS . 20.2 mt -47.46 -37.3 11.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.75 -34.18 75.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.0 mt -82.08 -64.89 1.09 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 140' ' ' ARG . 1.3 ptm85 -45.83 -30.59 1.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' SER . . . . . 0.42 ' HB2' ' O ' ' A' ' 137' ' ' LEU . 37.4 t -63.56 -39.15 93.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 142' ' ' ARG . . . . . 0.51 ' HD2' HG21 ' A' ' 66' ' ' THR . 10.2 mtp-105 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.396 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -112.77 174.69 5.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.947 0.403 . . . . 0.0 110.804 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.4 t -163.32 118.24 1.67 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.828 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.84 143.37 9.2 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.488 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.5 m -130.56 153.84 48.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 110.895 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 7' ' ' GLY . 96.8 p -162.78 147.84 11.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 34.67 -119.55 0.32 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.533 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.2 p -44.41 109.3 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.752 0.311 . . . . 0.0 111.194 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.64 41.52 0.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.076 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.97 126.8 4.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -146.85 162.62 38.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.53 ' CB ' HD23 ' A' ' 13' ' ' LEU . 95.5 m -90.5 -58.47 2.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.945 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.53 HD23 ' CB ' ' A' ' 12' ' ' CYS . 1.1 pt? -165.28 161.11 18.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 tp -59.4 -55.22 37.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -72.65 70.26 0.93 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.99 149.43 35.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.684 ' HA ' HD12 ' A' ' 20' ' ' ILE . 35.1 m -72.39 -38.17 60.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.102 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 17' ' ' VAL . 13.6 pt-20 -37.36 -40.35 0.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.4 m -86.56 -36.52 10.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.091 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.684 HD12 ' HA ' ' A' ' 17' ' ' VAL . 67.0 mt -58.99 139.82 18.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.079 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 23' ' ' GLU . 1.6 m -58.91 150.59 23.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.11 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 24' ' ' GLU . . . -36.35 -31.35 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.493 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 21' ' ' THR . 15.3 pt-20 35.04 33.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.803 0.335 . . . . 0.0 110.923 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.49 ' HG2' ' N ' ' A' ' 25' ' ' ALA . 1.7 pm0 -39.91 -47.63 2.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.49 ' N ' ' HG2' ' A' ' 24' ' ' GLU . . . 36.4 39.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.09 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -63.24 174.59 1.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.954 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.5 m -113.21 146.9 38.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -112.89 93.71 4.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.513 HG21 ' CD2' ' A' ' 56' ' ' LEU . 58.2 t -55.16 -74.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.497 ' O ' HD12 ' A' ' 30' ' ' LEU . 4.2 pp -139.57 135.7 33.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.828 ' CG ' HD11 ' A' ' 53' ' ' LEU . 34.7 tt0 -123.3 132.11 53.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.944 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.565 ' CE ' HD23 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -159.2 147.99 18.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -69.45 125.64 27.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.569 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.9 t -143.81 179.52 7.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.468 ' HG2' ' CB ' ' A' ' 51' ' ' ARG . 29.8 mtmt -127.6 150.74 49.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.8 tp -116.98 142.87 46.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -144.03 141.74 30.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.568 ' CG1' ' CE1' ' A' ' 116' ' ' PHE . 0.4 OUTLIER -124.97 147.93 29.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.532 ' CZ ' ' HA ' ' A' ' 44' ' ' GLN . 46.6 t80 -92.53 106.46 18.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 42' ' ' THR . 22.9 t0 -94.41 104.1 16.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.794 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 40' ' ' ASP . 0.5 OUTLIER -37.69 -29.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.466 ' N ' ' O ' ' A' ' 40' ' ' ASP . 59.2 m -57.94 -47.95 81.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.3 m -95.39 -22.18 17.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.532 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 6.9 mm100 67.37 32.66 5.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.2 t -158.19 -178.41 7.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 62.0 m95 -76.6 121.99 23.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.1 t -109.53 138.65 36.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.055 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -60.42 117.12 4.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.471 ' HA ' ' NE ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -104.83 -51.68 3.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -175.65 126.38 1.15 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.469 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.468 ' CB ' ' HG2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -115.21 134.04 55.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.908 0.385 . . . . 0.0 110.834 -179.857 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.405 ' N ' ' CE ' ' A' ' 73' ' ' MET . . . 178.62 -132.33 1.89 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.493 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.828 HD11 ' CG ' ' A' ' 31' ' ' GLN . 53.8 tp -99.36 149.27 23.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.816 0.341 . . . . 0.0 110.914 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.757 HD12 ' O ' ' A' ' 72' ' ' VAL . 3.4 tp -138.48 131.89 30.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.96 152.52 33.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.598 HD22 ' NE ' ' A' ' 135' ' ' ARG . 2.6 tp -98.05 112.66 24.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -96.51 133.51 40.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.42 125.66 38.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.488 ' O ' ' N ' ' A' ' 68' ' ' GLN . 21.4 ptt? -124.64 159.71 30.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.812 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.3 146.07 26.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.074 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.457 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -83.99 157.01 22.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.809 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.88 -56.11 2.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -81.19 -14.24 57.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.658 ' HB3' HG22 ' A' ' 66' ' ' THR . 0.8 OUTLIER -114.23 -20.76 10.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.797 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.457 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 55.52 12.27 4.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.443 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.658 HG22 ' HB3' ' A' ' 64' ' ' ASP . 13.7 t -98.37 174.76 6.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.798 0.332 . . . . 0.0 111.17 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.551 ' C ' HD13 ' A' ' 67' ' ' LEU . 2.7 tm? -68.39 99.38 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 59' ' ' MET . 6.0 mm-40 -88.04 165.83 14.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.7 m -142.94 162.25 35.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -152.74 170.99 18.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.603 HD13 HD13 ' A' ' 103' ' ' ILE . 6.5 mt -109.31 116.1 31.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.95 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.757 ' O ' HD12 ' A' ' 54' ' ' LEU . 2.2 t -118.32 147.02 22.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.091 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.466 ' HG3' HD11 ' A' ' 82' ' ' ILE . 8.8 tpt -147.54 107.84 4.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.825 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.43 ' NH1' ' O ' ' A' ' 79' ' ' LEU . 44.6 mtt-85 -98.68 136.47 38.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 46.1 p -70.13 168.16 16.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.184 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.467 ' CD ' ' N ' ' A' ' 77' ' ' GLY . 3.7 pp0? -81.29 -29.04 34.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.467 ' N ' ' CD ' ' A' ' 76' ' ' GLN . . . -63.43 -99.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 80' ' ' ARG . 3.6 m -97.32 39.69 1.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.898 0.38 . . . . 0.0 110.866 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.43 ' O ' ' NH1' ' A' ' 74' ' ' ARG . 9.7 mp 36.49 30.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 78' ' ' SER . 1.5 ptp180 -65.2 144.84 56.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.623 HD11 ' O ' ' A' ' 83' ' ' LEU . 0.1 OUTLIER -92.84 129.74 38.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.666 ' H ' HD13 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -125.55 -21.08 2.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.834 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.623 ' O ' HD11 ' A' ' 81' ' ' LEU . 3.2 tp -127.47 118.12 23.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.9 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -149.34 104.91 3.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.946 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.662 HG21 ' HB1' ' A' ' 105' ' ' ALA . 11.1 t -143.25 147.86 35.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.469 ' HD2' ' NE2' ' A' ' 68' ' ' GLN . 12.7 ttpt -93.57 118.66 31.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.704 HD23 ' HE2' ' A' ' 91' ' ' MET . 4.3 mt -55.74 153.0 8.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.836 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.586 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 48.8 p90 -137.24 155.49 49.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -47.9 -46.79 32.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.586 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 55.9 mm-40 -83.42 29.67 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.704 ' HE2' HD23 ' A' ' 87' ' ' LEU . 3.7 tpp -70.41 140.93 52.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.817 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -100.52 118.88 37.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.484 ' CD1' ' HB2' ' A' ' 132' ' ' LEU . 1.2 tt -153.85 118.9 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -130.3 147.41 52.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 17.0 tptm -86.91 98.02 11.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.87 -39.65 76.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 69.5 m -154.62 175.14 14.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -78.9 2.37 20.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.2 mtmm -130.25 -31.46 1.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.832 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 60.0 p -113.32 150.45 32.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.916 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.962 HD12 HD11 ' A' ' 128' ' ' LEU . 8.5 mt -139.12 149.93 23.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.194 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.438 ' CE1' ' CD1' ' A' ' 117' ' ' LEU . 1.2 m80 -113.35 104.7 12.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.603 HD13 HD13 ' A' ' 71' ' ' LEU . 1.1 pp -123.25 141.71 42.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.449 ' O ' ' HE1' ' A' ' 91' ' ' MET . 61.6 p -96.21 128.84 43.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.662 ' HB1' HG21 ' A' ' 85' ' ' THR . . . -142.78 170.84 14.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.629 ' HG3' HG22 ' A' ' 113' ' ' VAL . 31.6 mtm -113.67 136.27 53.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.475 ' HB2' ' CE ' ' A' ' 114' ' ' LYS . 16.9 t70 -68.51 173.0 5.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 31.1 p -89.38 -35.89 15.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.076 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -96.33 -55.44 2.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.835 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -65.44 -24.12 67.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 46.22 35.33 2.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -116.28 145.24 18.67 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.515 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.629 HG22 ' HG3' ' A' ' 106' ' ' MET . 39.4 t -79.89 117.85 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.886 0.374 . . . . 0.0 111.216 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.496 ' HG3' ' CE2' ' A' ' 116' ' ' PHE . 2.2 pttt -132.12 163.0 29.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 57.5 t -82.13 108.17 14.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.079 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.574 ' CD2' ' HB3' ' A' ' 105' ' ' ALA . 60.9 m-85 -95.99 157.59 15.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.438 ' CD1' ' CE1' ' A' ' 102' ' ' HIS . 4.2 tp -123.66 155.57 37.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.543 HG21 HD22 ' A' ' 128' ' ' LEU . 16.2 mt -134.49 106.66 8.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 34.7 t -99.83 123.05 43.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.569 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -157.52 169.92 23.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.147 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 6.1 t -54.91 153.88 5.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.859 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 51.6 p -48.74 -26.94 2.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.844 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -87.98 -61.38 1.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.947 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -48.31 -49.13 35.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 31.4 m -49.03 -46.3 43.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -65.7 -34.99 90.44 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.483 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -60.5 -66.73 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.767 0.318 . . . . 0.0 110.89 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.962 HD11 HD12 ' A' ' 101' ' ' ILE . 3.1 pp -49.93 -43.2 49.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.607 ' N ' HD12 ' A' ' 128' ' ' LEU . 35.9 t80 -61.19 -53.71 53.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -51.57 -19.52 1.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.126 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.456 ' HB3' HH21 ' A' ' 135' ' ' ARG . . . -85.89 -60.42 2.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.068 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.933 HD23 ' CZ ' ' A' ' 135' ' ' ARG . 46.1 mt -39.05 -65.56 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.467 ' C ' ' O ' ' A' ' 132' ' ' LEU . 2.5 t-160 -32.48 -65.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.702 ' HA ' HD12 ' A' ' 137' ' ' LEU . 75.0 t60 -47.44 -56.64 6.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.933 ' CZ ' HD23 ' A' ' 132' ' ' LEU . 58.9 mtt180 -37.27 -31.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.569 HG22 ' HD2' ' A' ' 140' ' ' ARG . 3.8 mp -92.01 -44.75 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.702 HD12 ' HA ' ' A' ' 134' ' ' HIS . 20.4 mt -50.8 -31.92 18.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -72.6 -29.01 63.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.055 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 3.1 mt -81.2 -46.19 15.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.884 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.569 ' HD2' HG22 ' A' ' 136' ' ' ILE . 4.6 mtp180 -63.2 -22.21 66.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 2.0 m -77.31 -17.07 58.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 8.3 mtt85 -90.58 -51.89 5.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.827 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.449 HG23 ' N ' ' A' ' 144' ' ' GLU . 30.2 m -52.12 -43.43 38.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' GLU . . . . . 0.449 ' N ' HG23 ' A' ' 143' ' ' VAL . 3.0 pt-20 -102.41 140.81 36.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 14.7 m -70.15 -41.84 73.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 115.33 -177.37 17.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.473 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 119.69 6.6 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.695 2.264 . . . . 0.0 112.316 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 12.0 t -86.12 117.88 25.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 23.2 p -62.68 134.05 55.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.891 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.522 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.1 m -108.15 159.19 16.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.851 0.358 . . . . 0.0 110.865 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.2 m -113.11 -60.74 1.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.92 162.69 15.28 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.526 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.2 p -168.82 158.6 9.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.84 0.352 . . . . 0.0 110.87 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.1 t -168.66 139.34 2.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.74 143.3 15.75 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.486 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.9 p -104.61 -177.99 3.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.777 0.322 . . . . 0.0 111.164 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.9 124.69 31.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.091 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -102.14 163.97 11.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.7 mtmt -116.41 179.57 3.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 23.6 t -161.55 126.09 3.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 13' ' ' LEU . 3.8 mm? -121.15 164.24 17.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -89.12 -47.71 7.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -83.79 35.97 0.53 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -102.28 151.38 22.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.7 m -78.78 -31.21 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -42.96 -39.67 2.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.5 m -85.85 -25.02 6.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.184 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.799 HG22 ' H ' ' A' ' 22' ' ' GLY . 90.7 mt -77.86 143.4 12.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 16.5 m -47.61 -27.76 2.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.183 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.799 ' H ' HG22 ' A' ' 20' ' ' ILE . . . 114.03 61.89 0.41 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.436 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -73.54 -36.77 65.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.79 0.329 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -110.89 -17.68 13.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -97.66 41.29 1.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.106 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -131.86 169.59 16.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.9 m -145.85 147.4 31.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -110.29 90.7 3.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.585 HG21 ' CD2' ' A' ' 56' ' ' LEU . 6.4 t -58.68 -70.61 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.43 ' O ' HD12 ' A' ' 30' ' ' LEU . 4.5 pp -139.45 144.2 37.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.892 ' CG ' HD11 ' A' ' 53' ' ' LEU . 34.0 tt0 -134.74 128.04 32.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.426 ' HE1' ' CB ' ' A' ' 120' ' ' ALA . 0.1 OUTLIER -156.6 138.49 14.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -62.43 133.06 54.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.783 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.6 t -146.19 174.85 10.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 41.1 mtpt -120.99 128.45 52.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.5 tp -101.95 125.25 48.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -115.86 134.26 55.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.4 p -110.64 137.65 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.099 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -90.41 121.33 32.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 42' ' ' THR . 51.4 t0 -108.38 96.11 6.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -38.09 -27.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 40' ' ' ASP . 29.4 m -60.73 -49.01 79.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.075 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.0 m -92.83 -25.36 18.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 67.98 36.46 3.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.0 m -150.08 168.02 25.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.81 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.421 ' CZ2' HD13 ' A' ' 117' ' ' LEU . 79.6 m95 -78.35 106.93 10.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.963 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 94.2 t -105.54 137.49 35.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.117 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.35 134.46 53.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.58 -37.52 3.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -177.76 121.55 0.78 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -116.72 141.14 48.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.909 0.385 . . . . 0.0 110.87 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 168.02 -118.53 0.79 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.546 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.892 HD11 ' CG ' ' A' ' 31' ' ' GLN . 45.3 tp -112.74 150.51 31.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.87 0.366 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.6 HD12 ' O ' ' A' ' 72' ' ' VAL . 4.0 tp -141.69 132.18 25.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.952 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.2 152.75 33.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.776 HD22 ' HB1' ' A' ' 131' ' ' ALA . 4.7 tp -89.72 114.25 25.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -94.12 123.23 37.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.923 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -96.36 139.63 32.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.495 ' O ' ' N ' ' A' ' 68' ' ' GLN . 16.5 ptt? -147.73 160.72 42.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -91.69 145.11 24.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.467 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.7 OUTLIER -82.73 154.32 24.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.899 -179.817 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.41 -54.64 2.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.193 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -83.62 -7.26 59.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.401 ' HB2' HG22 ' A' ' 66' ' ' THR . 4.2 m-20 -121.53 -21.12 6.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.467 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 56.79 10.55 4.75 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.491 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.419 HG21 ' HD2' ' A' ' 142' ' ' ARG . 9.2 t -95.8 172.67 7.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.801 0.334 . . . . 0.0 111.159 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.412 ' C ' HD13 ' A' ' 67' ' ' LEU . 2.6 tm? -68.87 99.72 1.09 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 59' ' ' MET . 7.3 mm-40 -84.63 169.21 14.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.41 ' HB2' HD12 ' A' ' 87' ' ' LEU . 48.9 m -157.84 163.73 37.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -149.8 171.47 16.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.018 HD21 HD21 ' A' ' 132' ' ' LEU . 11.8 mt -113.47 111.09 21.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.981 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.6 ' O ' HD12 ' A' ' 54' ' ' LEU . 2.3 t -113.4 147.11 17.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.491 ' O ' HD13 ' A' ' 82' ' ' ILE . 13.7 tpt -148.36 105.83 3.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.9 mtt-85 -92.98 144.19 25.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.572 HG23 HD12 ' A' ' 82' ' ' ILE . 9.3 p -88.66 144.94 25.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -59.99 133.55 56.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 112.76 -97.01 0.86 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.485 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.2 m -88.73 17.57 5.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.35 . . . . 0.0 110.76 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.4 mp 41.07 33.94 0.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.939 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 18.6 ttt180 -61.56 138.85 58.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.685 HD11 ' O ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -91.8 134.65 34.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.901 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.671 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -129.01 -28.03 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.685 ' O ' HD11 ' A' ' 81' ' ' LEU . 4.9 tp -121.76 128.49 51.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.955 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.589 ' OD1' HG22 ' A' ' 108' ' ' THR . 1.2 p30 -161.97 105.69 1.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.9 t -145.28 139.55 27.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.167 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.467 ' HD2' ' NE2' ' A' ' 68' ' ' GLN . 4.8 ttpm? -80.17 123.14 27.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.986 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.677 HD23 ' HE2' ' A' ' 91' ' ' MET . 21.3 mt -56.99 141.13 46.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.579 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 46.5 p90 -122.59 158.96 28.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.822 ' HB1' ' HA ' ' A' ' 140' ' ' ARG . . . -52.75 -44.55 66.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.095 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.579 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 47.7 mm-40 -84.05 32.3 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.677 ' HE2' HD23 ' A' ' 87' ' ' LEU . 1.3 tpp -72.37 132.01 43.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -98.4 117.11 32.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.471 HG13 HG22 ' A' ' 103' ' ' ILE . 1.3 tt -151.79 124.71 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -142.2 145.62 34.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.493 ' HD3' ' CD2' ' A' ' 129' ' ' TYR . 11.7 tptm -75.83 93.84 3.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.37 -29.55 70.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.099 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.9 t -162.54 174.21 12.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.466 ' CG ' ' HB2' ' A' ' 122' ' ' SER . 5.2 tt0 -73.27 -23.0 60.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -122.3 15.4 10.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.965 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.4 m -151.01 140.74 21.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.751 ' HB ' HD12 ' A' ' 118' ' ' ILE . 5.8 mt -131.19 151.87 36.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.167 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.717 ' CE1' ' CD1' ' A' ' 117' ' ' LEU . 1.8 m80 -118.0 103.58 10.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.819 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.492 HD13 HD13 ' A' ' 71' ' ' LEU . 1.6 pp -122.7 144.84 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.405 ' O ' ' HE1' ' A' ' 91' ' ' MET . 31.4 p -97.44 126.23 42.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.098 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -140.58 159.0 43.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.667 ' HG3' HG22 ' A' ' 113' ' ' VAL . 27.8 mtt -85.91 157.83 20.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -100.71 153.37 19.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.589 HG22 ' OD1' ' A' ' 84' ' ' ASN . 40.9 p -76.97 -34.95 57.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.219 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -99.33 -56.31 2.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -64.34 -13.02 47.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 39.41 35.99 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.951 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -130.52 153.94 20.43 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.446 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.667 HG22 ' HG3' ' A' ' 106' ' ' MET . 61.6 t -86.57 119.84 35.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.938 0.399 . . . . 0.0 111.097 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 9.9 ptpt -127.79 175.18 8.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 72.7 t -96.04 108.98 21.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.166 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -96.88 174.37 6.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.717 ' CD1' ' CE1' ' A' ' 102' ' ' HIS . 3.7 tp -134.12 157.16 46.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.905 HG21 HD11 ' A' ' 128' ' ' LEU . 5.9 mt -134.25 99.14 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.094 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 26.6 t -93.87 121.47 35.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.783 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -156.82 174.35 15.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 123' ' ' LYS . 6.5 t -60.16 141.41 55.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.817 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.466 ' HB2' ' CG ' ' A' ' 98' ' ' GLU . 53.2 p -41.13 -26.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.822 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 121' ' ' SER . 0.8 OUTLIER -83.47 -61.0 1.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -53.83 -51.36 63.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.878 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.401 ' O ' HD11 ' A' ' 101' ' ' ILE . 99.8 m -43.19 -40.9 3.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.169 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -75.91 -30.8 57.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.476 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -60.98 -69.25 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.883 0.373 . . . . 0.0 110.951 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.905 HD11 HG21 ' A' ' 118' ' ' ILE . 1.3 pt? -54.27 -38.63 66.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.939 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.493 ' CD2' ' HD3' ' A' ' 95' ' ' LYS . 22.9 t80 -55.57 -59.83 4.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -50.55 -35.08 28.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.134 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.776 ' HB1' HD22 ' A' ' 56' ' ' LEU . . . -64.88 -70.19 0.24 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 1.018 HD21 HD21 ' A' ' 71' ' ' LEU . 6.9 mp -37.91 -70.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.945 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.552 ' NE2' HD21 ' A' ' 137' ' ' LEU . 11.1 t-80 -32.75 -68.52 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.714 ' HA ' HD12 ' A' ' 137' ' ' LEU . 1.6 t-80 -43.33 -59.76 1.97 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.475 ' NE ' HD21 ' A' ' 56' ' ' LEU . 11.6 mmt180 -40.07 -37.88 0.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.619 HD11 HD22 ' A' ' 87' ' ' LEU . 3.1 mm -72.32 -51.35 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.083 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.714 HD12 ' HA ' ' A' ' 134' ' ' HIS . 40.7 mt -37.7 -31.39 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 136' ' ' ILE . . . -70.16 -43.26 71.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.104 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.52 HD23 ' N ' ' A' ' 139' ' ' LEU . 2.3 mt -74.66 -53.98 8.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.822 ' HA ' ' HB1' ' A' ' 89' ' ' ALA . 7.1 ptp180 -58.57 -11.2 2.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 31.3 t -88.75 -18.7 27.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ARG . . . . . 0.419 ' HD2' HG21 ' A' ' 66' ' ' THR . 38.0 mtp85 -82.33 -55.35 4.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.879 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.5 HG23 ' N ' ' A' ' 144' ' ' GLU . 26.1 m -55.8 -46.69 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' GLU . . . . . 0.5 ' N ' HG23 ' A' ' 143' ' ' VAL . 5.2 mm-40 -133.77 107.92 8.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.0 t -101.41 99.76 10.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -71.5 -171.69 13.86 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.475 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 114.82 3.82 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.707 2.271 . . . . 0.0 112.347 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 3.2 t 58.12 49.95 10.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.805 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 30.1 m 52.26 49.78 19.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.813 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.435 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t 45.09 41.34 5.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.865 0.364 . . . . 0.0 110.847 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -127.42 127.55 44.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.822 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.01 -165.8 11.96 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.6 p -145.18 121.12 10.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.892 0.377 . . . . 0.0 110.945 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 t -93.52 108.04 19.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.28 60.4 0.48 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.396 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -155.02 135.15 13.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.735 0.302 . . . . 0.0 111.151 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -172.24 145.34 1.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.4 -176.58 3.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 pptp? -95.49 -25.15 16.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.966 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 58.2 m -47.79 168.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 59.59 44.36 14.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 tt -108.84 -58.52 2.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.949 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -92.7 15.34 14.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.434 ' O ' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -57.41 148.01 24.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.824 ' HA ' HD12 ' A' ' 20' ' ' ILE . 22.6 m -79.32 -31.99 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.417 ' CD ' ' HG2' ' A' ' 16' ' ' LYS . 18.8 pt-20 -42.92 -39.27 2.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 16' ' ' LYS . 30.7 m -81.54 -37.24 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.086 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.824 HD12 ' HA ' ' A' ' 17' ' ' VAL . 85.1 mt -54.0 153.04 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.419 ' N ' HG22 ' A' ' 20' ' ' ILE . 2.5 m -53.91 164.01 0.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.178 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.413 ' N ' HG22 ' A' ' 21' ' ' THR . . . -73.18 75.0 0.98 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.554 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -95.36 -50.12 5.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.836 0.351 . . . . 0.0 110.9 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -115.3 -20.32 10.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -94.96 43.94 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.093 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -124.8 156.66 37.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m -145.77 142.64 29.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.832 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -108.02 118.54 37.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.765 HG21 HD23 ' A' ' 56' ' ' LEU . 1.8 m -94.74 -39.15 9.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.142 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.574 ' C ' HD12 ' A' ' 30' ' ' LEU . 2.8 pp -156.73 137.79 13.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.97 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.87 ' CG ' HD11 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -131.73 147.44 52.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.422 ' N ' ' HG2' ' A' ' 31' ' ' GLN . 3.4 ptt? -169.19 129.35 1.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -61.39 117.05 5.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.982 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.767 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 2.6 t -136.14 174.03 11.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.464 ' HG3' ' CB ' ' A' ' 51' ' ' ARG . 26.9 tttt -113.44 149.34 34.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 tp -119.39 137.28 53.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.437 ' CE1' ' HE2' ' A' ' 35' ' ' LYS . 83.5 m-85 -132.1 162.25 31.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.784 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.607 ' CG1' ' CE1' ' A' ' 116' ' ' PHE . 2.5 m -146.35 138.0 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.135 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.562 ' CZ ' ' C ' ' A' ' 44' ' ' GLN . 20.2 t80 -82.99 110.7 18.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 42' ' ' THR . 36.4 t0 -100.11 104.63 16.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -33.87 -35.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.949 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 40' ' ' ASP . 19.5 m -54.81 -50.77 67.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 40' ' ' ASP . 17.4 m -89.51 -24.76 21.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.562 ' C ' ' CZ ' ' A' ' 39' ' ' PHE . 6.2 mm100 69.37 25.7 5.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.9 t -155.36 -177.14 6.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 76.7 m95 -73.0 137.54 45.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.972 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.9 t -130.0 144.58 37.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.074 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 64.7 tt0 -68.68 113.88 6.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.801 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.53 ' HB2' HG22 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -99.69 -56.77 2.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.877 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -164.86 121.26 0.99 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.477 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.464 ' CB ' ' HG3' ' A' ' 35' ' ' LYS . 23.2 ptt180 -113.32 151.96 30.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.931 0.396 . . . . 0.0 110.835 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 161.07 -130.26 2.31 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.491 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.87 HD11 ' CG ' ' A' ' 31' ' ' GLN . 50.1 tp -97.88 132.17 43.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.824 0.345 . . . . 0.0 110.874 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.99 HD21 HD11 ' A' ' 128' ' ' LEU . 4.6 tp -122.19 130.52 53.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -151.15 151.7 32.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.821 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.765 HD23 HG21 ' A' ' 29' ' ' VAL . 4.4 tp -90.07 139.44 30.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.44 ' C ' ' OD1' ' A' ' 57' ' ' ASN . 22.5 t-20 -116.42 121.06 40.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -95.19 131.25 41.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.5 ' O ' ' N ' ' A' ' 68' ' ' GLN . 20.4 ptt? -137.15 160.67 38.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.797 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -89.76 145.06 25.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.062 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.466 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -83.01 153.38 24.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.8 -179.776 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.27 -58.89 1.86 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.177 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -79.62 -7.47 58.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -119.75 -24.77 6.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.466 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 60.56 7.42 7.71 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.534 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.8 t -91.96 174.69 7.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 0.0 111.169 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.448 ' C ' HD13 ' A' ' 67' ' ' LEU . 3.2 tm? -71.67 99.84 2.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 59' ' ' MET . 7.9 mm-40 -85.59 169.72 13.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.4 m -154.9 168.3 27.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -155.85 165.94 34.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.633 HD13 HD13 ' A' ' 103' ' ' ILE . 11.0 mt -107.04 118.32 36.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.486 HG13 HD21 ' A' ' 81' ' ' LEU . 2.2 t -117.61 147.24 21.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 6.8 tpt -144.1 115.74 8.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 53' ' ' LEU . 97.6 mtt180 -103.05 134.08 47.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.632 HG23 HD12 ' A' ' 82' ' ' ILE . 4.2 p -76.48 158.47 31.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -82.78 -37.2 24.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -54.38 -31.93 51.51 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.455 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.7 m -172.26 164.74 5.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.923 0.392 . . . . 0.0 110.878 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -74.07 62.31 0.89 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 17.3 ttt180 -114.55 137.94 51.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.655 HD13 ' N ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -93.58 137.38 32.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.655 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -127.61 -27.07 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.829 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.569 ' O ' HD11 ' A' ' 81' ' ' LEU . 3.1 tp -126.05 114.79 18.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -147.55 105.06 3.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.3 t -146.38 144.93 30.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.111 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.452 ' HD2' ' NE2' ' A' ' 68' ' ' GLN . 10.5 ttpt -88.22 121.36 30.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.753 HD23 ' CE ' ' A' ' 91' ' ' MET . 6.8 mt -56.92 159.55 4.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.935 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.565 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 42.5 p90 -141.51 158.86 43.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.969 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.98 -45.23 64.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.565 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 50.7 mm-40 -84.37 31.95 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.753 ' CE ' HD23 ' A' ' 87' ' ' LEU . 6.2 tpp -70.85 139.63 50.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -97.58 111.66 23.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.402 HD12 ' CD2' ' A' ' 132' ' ' LEU . 1.5 tt -148.02 127.49 4.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.183 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -141.07 145.61 36.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.9 tptm -82.4 98.22 8.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.0 -28.39 63.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.4 t -169.78 170.23 7.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.876 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -75.28 -2.91 30.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -132.94 16.58 4.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 83.7 p -160.36 140.58 11.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.429 HD11 ' O ' ' A' ' 125' ' ' THR . 9.1 mt -130.48 144.66 37.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.169 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.515 ' CE1' ' CD1' ' A' ' 117' ' ' LEU . 0.7 OUTLIER -109.57 103.54 12.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.633 HD13 HD13 ' A' ' 71' ' ' LEU . 1.1 pp -120.42 151.02 23.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 38.0 p -106.12 124.96 50.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.139 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.48 ' HB3' ' CD2' ' A' ' 116' ' ' PHE . . . -140.52 167.67 21.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.202 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.717 ' HG3' HG22 ' A' ' 113' ' ' VAL . 14.3 mtt -100.36 159.16 15.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.852 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -96.82 164.06 12.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 66.3 p -86.85 -36.76 18.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.229 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -100.6 -38.55 8.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.8 -26.57 44.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 49.33 44.62 23.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -136.55 141.94 13.04 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.717 HG22 ' HG3' ' A' ' 106' ' ' MET . 31.2 t -77.49 108.7 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.854 0.359 . . . . 0.0 111.171 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.493 ' HG3' ' CE2' ' A' ' 116' ' ' PHE . 3.3 ptpt -119.23 162.81 18.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 48.6 t -81.76 106.96 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.607 ' CE1' ' CG1' ' A' ' 38' ' ' VAL . 64.0 m-85 -96.21 149.24 21.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.515 ' CD1' ' CE1' ' A' ' 102' ' ' HIS . 5.0 tp -116.37 155.02 29.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.413 ' CG2' ' SG ' ' A' ' 34' ' ' CYS . 36.9 mt -128.73 98.78 4.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 31.5 t -88.67 108.8 19.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.862 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.767 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -144.5 169.06 18.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 19.0 t -63.47 161.07 15.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.4 p -49.59 -42.51 44.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -71.86 -61.59 1.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 127' ' ' GLN . 3.9 m-20 -50.18 -60.27 3.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.88 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.429 ' O ' HD11 ' A' ' 101' ' ' ILE . 87.4 m -35.66 -42.07 0.23 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.169 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -63.26 -41.47 99.56 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.417 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' A' ' 124' ' ' ASP . 2.0 mm100 -50.64 -61.73 2.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.816 0.341 . . . . 0.0 110.884 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.99 HD11 HD21 ' A' ' 54' ' ' LEU . 0.4 OUTLIER -50.58 -70.32 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -37.44 -63.13 0.47 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.99 -44.24 4.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.148 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.427 ' HB3' HH21 ' A' ' 135' ' ' ARG . . . -68.31 -62.5 1.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.114 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.557 ' CD2' HG21 ' A' ' 103' ' ' ILE . 4.0 mp -38.19 -67.26 0.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.452 ' C ' ' O ' ' A' ' 132' ' ' LEU . 4.1 t-160 -34.01 -62.53 0.31 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.865 ' HA ' HD12 ' A' ' 137' ' ' LEU . 26.5 t60 -48.65 -54.6 14.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.557 ' HD3' HD13 ' A' ' 56' ' ' LEU . 53.0 mtt180 -41.04 -27.59 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.575 ' N ' HD12 ' A' ' 136' ' ' ILE . 3.5 mp -94.07 -45.36 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.865 HD12 ' HA ' ' A' ' 134' ' ' HIS . 13.6 mt -50.01 -35.68 25.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.412 ' O ' ' CG ' ' A' ' 142' ' ' ARG . . . -66.43 -26.29 67.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.41 HD23 ' N ' ' A' ' 139' ' ' LEU . 1.0 OUTLIER -90.01 -56.77 3.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.571 ' HD2' HD23 ' A' ' 137' ' ' LEU . 4.3 ptp180 -57.57 -23.24 49.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 41.9 t -74.18 -28.73 61.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.833 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ARG . . . . . 0.436 ' HB3' ' NH1' ' A' ' 142' ' ' ARG . 1.8 mtp-105 -76.8 -48.08 19.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 142' ' ' ARG . 40.1 t -36.59 -58.41 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -109.54 133.81 52.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 8.0 t -114.87 105.58 13.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -170.37 152.67 19.53 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 -12.57 33.24 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.697 2.265 . . . . 0.0 112.393 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 39.5 p -51.44 166.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 42.4 m -98.88 -178.71 4.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.517 179.961 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -124.69 173.68 8.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.851 0.358 . . . . 0.0 110.852 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t 70.41 42.41 0.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.29 -157.09 33.33 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.473 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.6 p -170.99 173.65 5.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.843 0.354 . . . . 0.0 110.835 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 t -80.18 167.44 20.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.03 172.28 20.21 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.461 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.4 p -132.72 132.5 42.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.799 0.333 . . . . 0.0 111.15 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.48 168.24 1.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.107 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -121.89 42.22 3.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -123.68 145.32 49.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 84.9 m -39.15 98.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.8 mt -130.37 171.21 13.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 tp -51.09 -46.49 61.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -69.14 73.12 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 17' ' ' VAL . 1.0 OUTLIER -104.65 161.67 13.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.546 ' HA ' HD12 ' A' ' 20' ' ' ILE . 2.0 t -92.78 -44.36 13.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.167 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 17' ' ' VAL . 15.5 pt-20 -36.33 -36.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.0 m -83.09 -38.66 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.546 HD12 ' HA ' ' A' ' 17' ' ' VAL . 79.3 mt -56.91 157.46 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.481 ' N ' HG22 ' A' ' 20' ' ' ILE . 0.7 OUTLIER -45.85 153.51 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -74.44 74.5 1.27 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.469 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -59.43 -40.84 88.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.835 0.35 . . . . 0.0 110.912 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -51.61 -16.69 0.67 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.938 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.14 42.36 0.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -65.76 171.34 4.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.5 t -95.15 150.92 19.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -119.8 107.57 13.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.937 HG11 HD23 ' A' ' 56' ' ' LEU . 7.4 p -92.37 -32.74 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.438 ' C ' HD12 ' A' ' 30' ' ' LEU . 1.2 pp -165.36 134.15 3.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.83 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.957 ' CG ' HD11 ' A' ' 53' ' ' LEU . 16.2 tt0 -132.71 136.62 46.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.517 ' HE2' HD23 ' A' ' 128' ' ' LEU . 4.0 ptt? -161.32 138.64 8.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.445 ' OE1' HD13 ' A' ' 53' ' ' LEU . 3.2 mm100 -70.75 116.83 11.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.764 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.8 t -130.65 179.43 5.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.467 ' HD2' ' CZ ' ' A' ' 37' ' ' PHE . 17.7 ttmt -113.59 144.64 42.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.8 tp -123.26 123.83 41.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.467 ' CZ ' ' HD2' ' A' ' 35' ' ' LYS . 69.1 m-85 -115.87 156.17 26.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.472 ' CG2' ' HD3' ' A' ' 114' ' ' LYS . 3.0 p -139.87 135.47 38.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.452 ' CZ ' ' HA ' ' A' ' 44' ' ' GLN . 28.7 t80 -65.07 136.48 56.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.417 ' C ' ' N ' ' A' ' 42' ' ' THR . 9.9 t0 -125.3 102.0 7.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.912 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.3 -22.83 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.417 ' N ' ' C ' ' A' ' 40' ' ' ASP . 26.0 m -56.39 -50.01 72.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 44' ' ' GLN . 14.3 m -118.97 20.51 12.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.452 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 6.8 mm100 36.86 43.03 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.965 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.6 t -150.37 174.41 12.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 54.3 m95 -75.72 138.9 41.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 66.5 t -130.51 143.2 41.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -55.5 116.66 3.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.86 -51.75 3.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.4 ' O ' ' HE2' ' A' ' 73' ' ' MET . . . -170.34 103.16 0.19 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.526 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -103.36 137.94 40.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.844 0.355 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.558 ' N ' ' CE ' ' A' ' 73' ' ' MET . . . 167.28 -136.62 4.21 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.464 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.957 HD11 ' CG ' ' A' ' 31' ' ' GLN . 18.3 tp -83.34 135.06 34.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.895 0.379 . . . . 0.0 110.951 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.621 HD12 ' O ' ' A' ' 72' ' ' VAL . 4.7 tp -132.36 134.08 44.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.4 ptt180 -151.21 155.07 38.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.059 HD22 ' HB1' ' A' ' 131' ' ' ALA . 2.8 tp -97.13 109.57 22.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.958 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -92.26 132.95 36.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -102.35 126.83 49.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.514 ' O ' ' N ' ' A' ' 68' ' ' GLN . 19.9 ptt? -127.31 157.83 38.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.05 150.38 20.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.076 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.486 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 1.1 t -86.28 155.11 20.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.487 ' OG1' ' N ' ' A' ' 63' ' ' ASP . 0.8 OUTLIER -98.76 -60.62 1.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.172 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.487 ' N ' ' OG1' ' A' ' 62' ' ' THR . 0.6 OUTLIER -76.71 -20.53 56.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 179.855 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -105.9 -23.99 12.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.486 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 60.06 7.0 6.08 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.6 t -88.57 175.35 7.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.785 0.326 . . . . 0.0 111.2 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.564 ' C ' HD13 ' A' ' 67' ' ' LEU . 3.5 tm? -73.35 99.76 3.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.514 ' N ' ' O ' ' A' ' 59' ' ' MET . 3.7 mm100 -81.9 165.99 20.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.953 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.484 ' CB ' HD12 ' A' ' 87' ' ' LEU . 38.2 m -155.24 156.11 35.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -147.22 166.66 26.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.577 HD13 HD13 ' A' ' 103' ' ' ILE . 3.0 mt -108.38 113.91 27.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.621 ' O ' HD12 ' A' ' 54' ' ' LEU . 2.2 t -111.69 145.45 17.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.558 ' CE ' ' N ' ' A' ' 52' ' ' GLY . 12.2 tpt -143.56 106.48 4.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.447 ' HD3' ' CD2' ' A' ' 79' ' ' LEU . 72.0 mtt-85 -92.07 127.82 37.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.848 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.486 HG23 HD12 ' A' ' 82' ' ' ILE . 17.2 p -70.53 158.84 35.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.425 ' CD ' ' O ' ' A' ' 76' ' ' GLN . 0.0 OUTLIER -81.84 40.08 0.59 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.932 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -122.59 -95.29 1.25 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.5 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 57.8 m -128.94 64.7 1.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 0.0 110.871 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.447 ' CD2' ' HD3' ' A' ' 74' ' ' ARG . 15.1 mt 40.77 51.43 3.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -96.13 102.01 13.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.819 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.637 HD11 ' O ' ' A' ' 83' ' ' LEU . 0.1 OUTLIER -67.91 132.23 46.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.937 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.65 ' H ' HD13 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -126.68 -21.83 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.053 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.637 ' O ' HD11 ' A' ' 81' ' ' LEU . 4.3 tp -130.37 120.8 24.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.944 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -153.27 104.98 2.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.0 t -142.98 154.11 43.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.103 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.407 ' HD2' ' C ' ' A' ' 86' ' ' LYS . 1.0 OUTLIER -92.76 128.82 38.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 179.867 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.666 HD22 ' SD ' ' A' ' 91' ' ' MET . 12.6 mt -67.84 138.52 56.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.596 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 49.4 p90 -118.95 156.81 28.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.43 -43.83 62.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.117 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.596 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 21.4 mm-40 -83.72 31.51 0.48 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.666 ' SD ' HD22 ' A' ' 87' ' ' LEU . 1.7 ttm -70.01 139.29 52.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.828 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -103.66 113.96 27.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.0 tt -150.26 115.68 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.113 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -128.27 140.58 51.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 10.6 tptm -75.1 93.73 2.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.77 -40.17 88.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.152 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.7 m -147.97 167.38 25.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -71.04 -10.25 59.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -124.76 -21.09 4.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.4 m -113.39 152.3 30.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.892 ' CD1' HD11 ' A' ' 128' ' ' LEU . 3.3 mt -140.14 151.49 21.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.141 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.607 ' CE1' ' CD1' ' A' ' 117' ' ' LEU . 4.4 m80 -120.38 103.18 8.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.577 HD13 HD13 ' A' ' 71' ' ' LEU . 1.2 pp -117.85 150.44 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.145 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 13.7 p -101.59 124.57 47.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -140.8 171.92 13.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.079 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.782 ' HG3' HG22 ' A' ' 113' ' ' VAL . 19.6 mtt -99.26 168.98 9.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -105.18 168.88 8.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 23.3 p -94.5 -39.75 10.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.157 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -101.31 -44.73 5.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -73.93 -10.9 60.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 38.92 43.79 0.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -128.65 154.98 20.34 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.782 HG22 ' HG3' ' A' ' 106' ' ' MET . 45.7 t -88.88 102.06 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.862 0.363 . . . . 0.0 111.135 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.534 ' HG3' ' CZ ' ' A' ' 116' ' ' PHE . 5.1 ptpt -118.27 149.45 41.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.429 ' O ' HG13 ' A' ' 115' ' ' VAL . 4.6 p -90.4 117.1 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.108 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.534 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 82.8 m-85 -95.92 176.91 5.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.839 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.607 ' CD1' ' CE1' ' A' ' 102' ' ' HIS . 3.7 tp -123.88 154.61 39.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.868 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.63 HG22 ' SG ' ' A' ' 34' ' ' CYS . 5.4 mt -135.0 102.39 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 46.0 t -98.11 125.3 43.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.764 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -155.29 172.78 17.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 123' ' ' LYS . 3.2 t -54.43 138.77 39.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.813 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 121' ' ' SER . 7.0 p -36.3 -33.61 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.837 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 121' ' ' SER . 48.5 tptt -84.49 -59.59 2.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.407 ' HB3' ' CE ' ' A' ' 32' ' ' MET . 1.1 m-20 -45.6 -55.19 6.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.878 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.552 HG23 HD11 ' A' ' 101' ' ' ILE . 3.4 m -42.33 -29.1 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -76.64 -38.8 31.24 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.448 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -51.72 -69.42 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.843 0.354 . . . . 0.0 110.924 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.975 HD12 ' N ' ' A' ' 129' ' ' TYR . 3.1 pp -55.34 -43.77 75.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.975 ' N ' HD12 ' A' ' 128' ' ' LEU . 22.5 t80 -50.56 -55.27 16.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.02 -21.04 58.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 1.059 ' HB1' HD22 ' A' ' 56' ' ' LEU . . . -78.48 -55.29 5.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.502 HD21 HD21 ' A' ' 71' ' ' LEU . 10.4 mp -53.76 -70.9 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.957 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 132' ' ' LEU . 8.5 t-160 -34.9 -62.05 0.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -43.04 -61.42 1.31 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.739 ' CZ ' HD21 ' A' ' 56' ' ' LEU . 1.4 mpt_? -39.92 -40.89 1.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.481 ' N ' HD13 ' A' ' 136' ' ' ILE . 3.0 mm -68.45 -53.35 28.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.077 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.498 ' HA ' ' CG ' ' A' ' 140' ' ' ARG . 30.5 mt -44.88 -40.85 6.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.08 -36.67 80.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.54 HD23 ' N ' ' A' ' 139' ' ' LEU . 1.8 mt -77.56 -59.72 2.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.498 ' CG ' ' HA ' ' A' ' 137' ' ' LEU . 5.5 ptm180 -54.33 -15.52 1.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 43.6 t -77.21 -27.14 53.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ARG . . . . . 0.435 ' HB3' ' NH1' ' A' ' 142' ' ' ARG . 6.5 mtp-105 -79.4 -48.23 14.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.929 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.468 HG23 ' N ' ' A' ' 144' ' ' GLU . 17.9 m -56.35 -46.55 81.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' GLU . . . . . 0.468 ' N ' HG23 ' A' ' 143' ' ' VAL . 18.9 mm-40 -134.87 114.99 13.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 57.9 m -80.93 101.65 9.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.888 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -129.4 145.86 16.71 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.476 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 138.78 38.72 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.68 2.253 . . . . 0.0 112.396 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 3.4 t -147.34 115.72 6.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.851 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 2.2 m -73.22 144.97 46.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.453 -179.958 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t -132.55 142.84 49.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.339 . . . . 0.0 110.883 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -133.24 -49.01 0.85 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.59 -164.04 53.06 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.469 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -159.86 159.46 32.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.905 0.384 . . . . 0.0 110.829 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.8 m -139.66 172.54 12.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.92 173.49 26.23 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.449 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.6 p -154.97 170.22 22.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 111.117 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -147.69 157.94 43.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -112.76 160.39 18.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.2 mtmm -107.05 153.05 23.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.0 t -120.29 133.34 55.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.8 mt -117.82 169.81 9.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -86.33 -53.58 4.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.962 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -91.82 37.19 0.96 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -58.15 166.7 1.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.51 HG12 ' CD ' ' A' ' 24' ' ' GLU . 18.7 m -81.12 -33.35 12.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -41.13 -39.32 1.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.1 m -86.11 -32.25 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.666 HG22 ' H ' ' A' ' 22' ' ' GLY . 39.5 mt -74.69 139.0 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.079 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.3 m -43.38 -23.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.155 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.666 ' H ' HG22 ' A' ' 20' ' ' ILE . . . 107.73 44.62 1.2 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.43 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -71.32 -41.06 70.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.835 0.35 . . . . 0.0 110.917 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.51 ' CD ' HG12 ' A' ' 17' ' ' VAL . 1.1 pm0 -89.27 -14.9 34.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -100.19 31.68 3.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.069 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -155.51 128.77 8.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.3 t -123.62 151.5 42.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -102.18 86.92 2.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.402 ' CG1' HD23 ' A' ' 56' ' ' LEU . 64.7 t -48.68 -69.58 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.519 HD21 ' HB2' ' A' ' 131' ' ' ALA . 4.5 pp -143.76 140.01 29.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.981 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.729 ' HG2' HD11 ' A' ' 53' ' ' LEU . 11.9 tt0 -125.58 129.18 49.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -154.12 136.12 14.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -60.22 127.19 30.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.586 ' SG ' HG23 ' A' ' 118' ' ' ILE . 5.1 t -146.73 170.83 16.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt -120.1 130.28 54.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.4 tp -96.28 128.63 43.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -119.49 144.67 46.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.438 HG13 ' O ' ' A' ' 38' ' ' VAL . 11.9 p -124.85 127.47 72.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.074 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.542 ' HB2' ' CZ3' ' A' ' 46' ' ' TRP . 6.2 t80 -70.21 130.06 41.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.503 ' O ' ' N ' ' A' ' 42' ' ' THR . 31.3 t0 -114.93 90.9 3.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.828 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.533 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -33.21 -34.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.986 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.503 ' N ' ' O ' ' A' ' 40' ' ' ASP . 51.3 m -43.8 -49.38 8.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.184 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 44' ' ' GLN . 13.2 m -116.18 19.13 15.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.812 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.501 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 5.9 mm100 38.03 48.38 1.06 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.4 m -154.89 171.79 19.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.542 ' CZ3' ' HB2' ' A' ' 39' ' ' PHE . 55.6 m95 -78.12 140.44 39.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 83.3 t -128.69 143.21 41.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -60.88 121.27 11.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.79 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.444 ' NH2' ' OD1' ' A' ' 107' ' ' ASP . 0.0 OUTLIER -109.32 -39.95 5.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.847 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 171.96 112.63 0.28 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.515 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.2 ptt-85 -108.66 148.82 29.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.845 0.355 . . . . 0.0 110.898 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.443 ' N ' ' CE ' ' A' ' 73' ' ' MET . . . 177.19 -111.09 0.32 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.502 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.729 HD11 ' HG2' ' A' ' 31' ' ' GLN . 28.1 tp -127.76 111.12 13.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.834 0.349 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.794 HD12 ' O ' ' A' ' 72' ' ' VAL . 5.5 tp -92.65 143.93 25.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.507 ' HG2' ' CG2' ' A' ' 72' ' ' VAL . 10.4 ptt-85 -149.16 156.89 42.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.984 HD22 ' HB1' ' A' ' 131' ' ' ALA . 2.8 tp -112.99 106.77 15.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 34.5 p-10 -95.17 155.72 16.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.444 ' OD2' ' NH2' ' A' ' 135' ' ' ARG . 33.0 m-20 -122.22 138.51 54.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.5 ' O ' ' N ' ' A' ' 68' ' ' GLN . 20.6 ptt? -140.26 155.52 46.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.32 153.34 29.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.467 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -87.78 150.12 23.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.806 -179.79 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.8 t -98.75 -45.39 6.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.069 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -89.53 -8.56 52.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.514 ' HB3' HG22 ' A' ' 66' ' ' THR . 4.2 t0 -122.73 -19.85 6.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.467 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 59.97 7.59 6.91 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.478 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.514 HG22 ' HB3' ' A' ' 64' ' ' ASP . 8.8 t -96.91 175.04 6.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.819 0.343 . . . . 0.0 111.144 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.614 ' C ' HD13 ' A' ' 67' ' ' LEU . 2.7 tm? -66.98 105.08 1.53 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 59' ' ' MET . 5.0 mm-40 -92.7 161.24 14.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.49 ' CB ' HD12 ' A' ' 87' ' ' LEU . 14.7 m -128.09 161.6 28.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.4 ttm180 -152.06 144.54 24.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.438 ' CD1' HD21 ' A' ' 87' ' ' LEU . 8.8 mt -94.61 153.31 17.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.794 ' O ' HD12 ' A' ' 54' ' ' LEU . 0.9 OUTLIER -154.68 152.11 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.103 179.817 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.474 ' O ' HD13 ' A' ' 82' ' ' ILE . 8.9 tpt -155.35 106.36 2.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.867 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.435 ' HG3' ' NH1' ' A' ' 55' ' ' ARG . 44.8 mtm180 -97.17 140.72 31.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.492 HG23 HD12 ' A' ' 82' ' ' ILE . 18.9 p -79.0 156.19 28.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -78.06 157.86 29.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.74 -60.75 4.35 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.416 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 80' ' ' ARG . 34.4 t -117.48 119.54 35.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.924 0.392 . . . . 0.0 110.884 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.73 75.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 78' ' ' SER . 15.0 ttt180 -117.34 139.61 50.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.698 HD11 ' O ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -98.88 134.83 41.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.626 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -126.38 -26.23 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.089 179.854 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.698 ' O ' HD11 ' A' ' 81' ' ' LEU . 6.3 tp -124.75 121.91 35.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -152.95 105.04 2.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.6 t -144.26 147.58 33.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.083 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.453 ' HG3' ' CE ' ' A' ' 59' ' ' MET . 2.8 ttpm? -88.67 117.16 27.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.776 HD23 ' HE2' ' A' ' 91' ' ' MET . 6.5 mt -56.65 144.73 31.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.568 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 40.7 p90 -126.85 163.1 24.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.34 -43.21 92.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.063 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.568 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 32.4 mm-40 -82.87 32.78 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.958 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.776 ' HE2' HD23 ' A' ' 87' ' ' LEU . 8.0 tpp -76.36 145.64 39.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -104.29 103.83 13.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 3.1 tt -142.71 115.21 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -125.82 144.12 50.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.571 ' HD3' ' CD2' ' A' ' 129' ' ' TYR . 9.3 tptm -79.7 92.72 5.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.18 -45.88 91.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.089 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.2 t -151.29 -178.65 6.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -84.89 -2.92 58.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.4 mtmt -129.6 -1.0 4.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 79.4 p -140.15 152.16 45.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.869 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.565 ' O ' HD12 ' A' ' 117' ' ' LEU . 5.7 mt -138.28 152.73 25.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.128 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -120.19 102.96 8.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.49 ' C ' HD12 ' A' ' 103' ' ' ILE . 1.0 OUTLIER -122.06 146.03 27.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 41.6 p -104.1 125.48 50.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.09 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -139.2 159.6 41.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.068 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.72 ' HG3' HG22 ' A' ' 113' ' ' VAL . 6.1 mtt -83.67 169.81 14.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.444 ' OD1' ' NH2' ' A' ' 49' ' ' ARG . 6.4 t70 -106.49 167.0 10.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 67.5 p -89.71 -38.65 13.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.165 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -98.24 -58.49 1.96 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -67.26 -12.11 59.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 38.87 49.0 1.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -131.96 148.76 19.19 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.478 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.72 HG22 ' HG3' ' A' ' 106' ' ' MET . 82.6 t -83.79 110.68 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 111.126 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -119.46 159.51 24.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 97.6 t -81.34 108.76 14.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.174 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -95.85 169.81 9.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.565 HD12 ' O ' ' A' ' 101' ' ' ILE . 5.7 tp -133.77 154.19 51.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.586 HG23 ' SG ' ' A' ' 34' ' ' CYS . 67.2 mt -127.52 110.11 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 23.2 t -103.81 115.32 30.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -150.63 171.16 17.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.159 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 123' ' ' LYS . 6.0 t -61.9 140.2 58.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.841 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 121' ' ' SER . 5.2 p -35.8 -31.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 121' ' ' SER . 21.8 tptm -76.0 -60.89 2.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -53.37 -52.14 60.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 90.9 m -41.21 -50.6 3.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -57.56 -44.81 93.7 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.457 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -59.54 -61.61 2.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.853 0.359 . . . . 0.0 110.937 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.589 ' CD1' HD11 ' A' ' 132' ' ' LEU . 0.5 OUTLIER -49.29 -61.36 2.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.571 ' CD2' ' HD3' ' A' ' 95' ' ' LYS . 61.9 t80 -53.32 -51.23 63.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.51 -22.21 12.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.145 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.984 ' HB1' HD22 ' A' ' 56' ' ' LEU . . . -85.7 -57.73 2.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.589 HD11 ' CD1' ' A' ' 128' ' ' LEU . 30.3 mt -49.13 -64.77 0.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 132' ' ' LEU . 6.0 t-80 -36.21 -64.81 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.494 ' O ' ' N ' ' A' ' 136' ' ' ILE . 5.4 t-80 -47.74 -59.16 3.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.935 ' HE ' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -37.95 -27.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 -179.855 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.559 HD12 ' O ' ' A' ' 132' ' ' LEU . 3.8 mp -92.27 -48.1 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 59.2 mt -46.89 -29.82 2.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.922 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -74.49 -39.06 62.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.8 mt -69.83 -55.63 9.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.994 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.448 ' HA ' ' CG2' ' A' ' 143' ' ' VAL . 4.0 ptm180 -50.66 -22.57 2.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.875 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 13.1 t -77.6 -38.83 47.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.896 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 145' ' ' SER . 4.4 mtp-105 -80.98 -54.73 5.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.459 HG23 ' N ' ' A' ' 144' ' ' GLU . 28.0 m -34.46 -43.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' GLU . . . . . 0.459 ' N ' HG23 ' A' ' 143' ' ' VAL . 7.6 mt-10 -100.48 -17.24 17.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 142' ' ' ARG . 9.7 t 61.49 44.22 9.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -89.45 161.32 29.84 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.479 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -39.52 6.41 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.723 2.282 . . . . 0.0 112.32 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 2.9 m -71.99 148.41 45.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 18.1 m -142.16 111.44 6.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.843 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.498 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.423 -0.271 . . . . 0.0 112.423 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.3 p -121.88 131.77 54.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.854 0.359 . . . . 0.0 110.833 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.8 t -94.09 135.68 35.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.65 122.43 5.29 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.444 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 m -77.18 153.17 34.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.845 0.355 . . . . 0.0 110.893 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.4 p -122.81 173.34 7.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.836 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.77 -135.32 7.93 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.515 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.0 t -161.82 136.68 7.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.796 0.332 . . . . 0.0 111.125 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -173.36 177.61 2.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -107.73 144.5 34.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.8 mttt -134.72 128.72 33.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.419 ' HB3' ' NZ ' ' A' ' 16' ' ' LYS . 1.8 m -65.46 -175.35 0.25 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.535 ' H ' HD12 ' A' ' 13' ' ' LEU . 6.2 mp -60.54 126.43 27.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.504 ' O ' ' CG ' ' A' ' 15' ' ' GLU . 1.1 tp -43.9 165.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 12.4 pt-20 46.26 55.04 7.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.419 ' NZ ' ' HB3' ' A' ' 12' ' ' CYS . 3.2 tppp? -100.17 155.59 17.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.449 ' HA ' HD12 ' A' ' 20' ' ' ILE . 15.9 m -81.06 -36.16 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.119 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 17' ' ' VAL . 7.0 pt-20 -37.63 -37.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.584 HG23 ' N ' ' A' ' 20' ' ' ILE . 32.3 m -88.7 -48.64 14.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.121 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.584 ' N ' HG23 ' A' ' 19' ' ' VAL . 72.7 mt -47.2 137.14 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.3 m -67.81 157.33 35.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -49.57 -22.33 3.86 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.524 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 52.18 44.8 29.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.8 0.333 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 9.6 pt-20 -119.76 -40.44 2.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.435 ' N ' ' HG3' ' A' ' 24' ' ' GLU . . . -83.08 42.87 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.401 ' HB3' ' OD1' ' A' ' 57' ' ' ASN . 4.7 mm-40 -81.72 -175.02 5.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.402 ' O ' ' OD1' ' A' ' 57' ' ' ASN . 3.3 t -138.35 157.86 45.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -136.54 107.53 6.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 1.038 HG11 HD23 ' A' ' 56' ' ' LEU . 6.3 p -79.44 -33.71 15.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.118 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.737 ' O ' HD12 ' A' ' 30' ' ' LEU . 3.3 pp -166.85 128.17 1.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 1.067 ' CG ' HD11 ' A' ' 53' ' ' LEU . 25.9 tt0 -120.01 140.16 51.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -162.8 141.41 8.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -71.95 131.31 42.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.988 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.8 t -150.5 179.25 8.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -113.54 157.51 21.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.7 tp -132.54 128.08 36.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.955 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -123.76 129.41 51.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.475 HG13 ' O ' ' A' ' 38' ' ' VAL . 3.9 p -111.89 126.11 69.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.094 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -72.62 111.48 7.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.941 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 42' ' ' THR . 2.5 m-20 -97.52 101.71 13.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -41.59 -24.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 40' ' ' ASP . 48.4 m -62.75 -44.96 94.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.9 m -96.39 -23.7 16.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 67.8 36.38 3.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.937 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t -156.1 170.16 22.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.543 ' CZ2' HD13 ' A' ' 117' ' ' LEU . 80.9 m95 -71.51 104.96 3.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 92.1 t -103.51 140.18 22.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.117 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -64.4 128.94 37.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.432 ' CZ ' ' HB ' ' A' ' 82' ' ' ILE . 0.6 OUTLIER -110.28 -37.32 5.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.788 -179.905 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 171.57 112.76 0.28 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.421 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.79 147.82 29.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.899 0.38 . . . . 0.0 110.814 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.413 ' N ' ' CE ' ' A' ' 73' ' ' MET . . . 165.55 -121.22 0.98 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.425 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.067 HD11 ' CG ' ' A' ' 31' ' ' GLN . 47.5 tp -98.09 146.88 25.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.807 0.337 . . . . 0.0 110.9 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.448 HD12 ' O ' ' A' ' 72' ' ' VAL . 4.6 tp -143.87 127.49 17.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.29 150.78 30.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.802 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.038 HD23 HG11 ' A' ' 29' ' ' VAL . 3.1 tp -89.43 114.08 25.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.94 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 27' ' ' SER . 4.6 t-20 -91.94 127.3 37.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -95.53 126.89 41.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.503 ' O ' ' N ' ' A' ' 68' ' ' GLN . 17.7 ptt? -136.1 151.13 49.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.75 154.69 31.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.48 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -89.7 157.61 17.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.835 -179.772 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.46 -54.58 3.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.056 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -84.83 -8.94 58.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.856 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.447 ' OD1' ' NH2' ' A' ' 142' ' ' ARG . 68.3 m-20 -119.59 -18.99 8.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.833 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.48 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 53.8 13.07 2.96 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.418 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.8 t -97.79 174.98 6.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.8 0.333 . . . . 0.0 111.147 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.485 ' C ' HD13 ' A' ' 67' ' ' LEU . 2.7 tm? -70.15 99.91 1.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 59' ' ' MET . 7.4 mm-40 -89.38 171.08 10.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 68.4 m -152.26 165.64 34.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -153.62 169.67 22.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.659 HD13 HD13 ' A' ' 103' ' ' ILE . 6.4 mt -107.79 113.33 26.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.448 ' O ' HD12 ' A' ' 54' ' ' LEU . 2.3 t -115.09 145.55 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.57 ' HG3' HD11 ' A' ' 82' ' ' ILE . 13.8 tpt -145.38 123.01 11.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 51.8 mtt-85 -111.16 132.11 54.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.832 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.1 p -71.46 161.05 31.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -90.01 146.15 24.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.79 -57.57 3.04 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.484 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.2 m -83.05 -23.47 33.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.939 0.4 . . . . 0.0 110.886 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 45.01 52.7 8.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.77 125.77 53.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.704 HD11 ' O ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -61.0 133.77 56.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.909 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.704 ' H ' HD13 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -127.77 -27.61 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.818 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.704 ' O ' HD11 ' A' ' 81' ' ' LEU . 4.0 tp -125.83 132.61 52.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.638 ' OD1' HG22 ' A' ' 108' ' ' THR . 1.0 OUTLIER -162.83 106.55 1.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.561 HG21 ' HB1' ' A' ' 105' ' ' ALA . 10.8 t -144.87 146.45 32.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.435 ' HD2' ' NE2' ' A' ' 68' ' ' GLN . 23.1 ttpt -88.81 118.42 28.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.709 HD23 ' CE ' ' A' ' 91' ' ' MET . 7.6 mt -56.65 148.22 20.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.551 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 43.2 p90 -129.98 162.83 27.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.823 ' HB1' ' HA ' ' A' ' 140' ' ' ARG . . . -55.72 -46.1 77.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.139 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.551 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 59.9 mm-40 -82.62 32.01 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.926 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.709 ' CE ' HD23 ' A' ' 87' ' ' LEU . 2.5 tpp -72.8 144.26 47.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.827 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -107.5 110.44 22.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.9 tt -145.18 122.58 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -137.89 141.16 40.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.884 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.549 ' HE3' HG22 ' A' ' 125' ' ' THR . 11.5 tptm -79.95 96.75 6.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.913 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.65 -42.84 77.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.053 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.5 t -147.21 165.28 30.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.88 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.16 -19.67 65.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 26.0 mttp -120.26 14.9 12.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.1 p -148.43 147.6 29.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.774 HD11 HG23 ' A' ' 125' ' ' THR . 6.1 mt -139.81 146.04 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.419 ' CD2' ' CD1' ' A' ' 117' ' ' LEU . 11.3 m170 -116.5 110.67 18.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.659 HD13 HD13 ' A' ' 71' ' ' LEU . 1.3 pp -127.17 147.12 32.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.066 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.402 ' O ' ' HE1' ' A' ' 91' ' ' MET . 7.9 p -98.82 120.48 39.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.561 ' HB1' HG21 ' A' ' 85' ' ' THR . . . -138.73 166.22 24.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.039 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.719 ' HG3' HG22 ' A' ' 113' ' ' VAL . 14.8 mtt -93.07 164.51 13.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -103.11 161.71 13.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.822 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.638 HG22 ' OD1' ' A' ' 84' ' ' ASN . 76.2 p -87.13 -36.71 17.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -101.04 -53.12 3.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -64.19 -13.48 49.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 40.85 49.6 2.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -140.34 153.45 23.49 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.428 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.719 HG22 ' HG3' ' A' ' 106' ' ' MET . 42.4 t -81.86 95.46 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.938 0.399 . . . . 0.0 111.118 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.593 ' HG3' ' CE1' ' A' ' 116' ' ' PHE . 1.5 ptpm? -112.0 146.85 37.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.416 ' O ' HG13 ' A' ' 115' ' ' VAL . 4.0 p -87.43 117.67 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.144 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.593 ' CE1' ' HG3' ' A' ' 114' ' ' LYS . 86.5 m-85 -96.74 177.65 5.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.543 HD13 ' CZ2' ' A' ' 46' ' ' TRP . 3.7 tp -129.45 151.29 50.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.919 HD13 HD21 ' A' ' 128' ' ' LEU . 7.6 mt -133.14 101.92 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.118 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.8 t -95.64 113.11 24.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.988 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -140.62 160.97 38.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.04 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 122' ' ' SER . 74.7 m -52.53 151.73 4.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 121' ' ' SER . 99.4 p -35.48 -47.41 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.831 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -75.13 -59.82 2.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.933 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.617 ' HB3' ' HB1' ' A' ' 120' ' ' ALA . 3.6 m-20 -38.68 -51.79 1.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.774 HG23 HD11 ' A' ' 101' ' ' ILE . 89.5 m -54.75 -58.65 6.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -44.87 -43.9 8.5 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.542 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -53.61 -68.05 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.795 0.331 . . . . 0.0 110.835 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.919 HD21 HD13 ' A' ' 118' ' ' ILE . 9.0 tp -50.32 -63.58 1.08 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 95' ' ' LYS . 38.8 t80 -44.96 -58.11 3.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.966 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -50.76 -27.39 7.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.08 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 128' ' ' LEU . . . -76.83 -65.34 0.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 135' ' ' ARG . 20.6 mt -41.52 -66.0 0.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.967 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.473 ' C ' ' O ' ' A' ' 132' ' ' LEU . 10.6 t-160 -31.27 -65.41 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -51.79 -42.76 62.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.577 ' NE ' HD21 ' A' ' 56' ' ' LEU . 15.5 mmt180 -59.19 -30.35 68.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.495 ' N ' HD13 ' A' ' 136' ' ' ILE . 3.0 mm -76.79 -45.19 32.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.039 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.482 ' HA ' ' CG ' ' A' ' 140' ' ' ARG . 34.1 mt -46.74 -46.68 20.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.959 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -56.58 -32.85 65.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.149 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.8 mt -80.74 -66.89 0.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.823 ' HA ' ' HB1' ' A' ' 89' ' ' ALA . 4.0 ptm180 -42.03 -27.19 0.12 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.9 t -67.82 -42.17 81.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ARG . . . . . 0.486 ' CZ ' ' HB3' ' A' ' 142' ' ' ARG . 10.8 mtp-105 -50.77 -44.31 58.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.829 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.427 ' C ' ' O ' ' A' ' 142' ' ' ARG . 96.8 t -34.92 -56.86 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.14 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -129.37 138.53 51.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 41.0 t -104.45 79.77 1.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -134.43 176.56 19.8 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.523 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.8 145.23 56.31 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.657 2.238 . . . . 0.0 112.298 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 79.8 p -150.85 118.15 6.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 19.2 m -89.76 -61.04 1.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 -179.959 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.0 t -145.29 156.86 44.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 0.0 110.828 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.4 m -100.24 96.74 7.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.944 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.73 -179.01 36.49 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.481 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.0 m -119.95 138.1 53.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.846 0.355 . . . . 0.0 110.868 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 m -90.31 -54.92 3.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.49 103.4 1.07 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.536 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 57.9 p -122.02 159.8 26.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.331 . . . . 0.0 111.176 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.23 150.04 11.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.11 152.11 20.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.6 139.25 25.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.599 ' C ' HD12 ' A' ' 13' ' ' LEU . 21.3 p -84.06 70.96 10.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.599 HD12 ' C ' ' A' ' 12' ' ' CYS . 5.4 mp -153.09 154.04 34.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 mt -52.06 162.63 0.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 55.07 40.21 31.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.679 ' O ' HG22 ' A' ' 19' ' ' VAL . 4.7 tppt? -43.35 151.9 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 20' ' ' ILE . 27.1 m -70.15 -36.75 69.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -39.33 -33.42 0.15 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.679 HG22 ' O ' ' A' ' 16' ' ' LYS . 27.7 m -91.99 -30.42 4.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.074 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 17' ' ' VAL . 82.1 mt -71.39 145.73 12.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.104 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.532 HG22 ' N ' ' A' ' 22' ' ' GLY . 6.5 m -69.59 166.87 18.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.532 ' N ' HG22 ' A' ' 21' ' ' THR . . . -76.77 54.52 3.38 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.497 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -66.58 -43.01 86.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.818 0.342 . . . . 0.0 110.898 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.476 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 12.0 pt-20 -77.12 -47.18 21.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.476 ' N ' ' HG3' ' A' ' 24' ' ' GLU . . . 37.44 34.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -73.28 169.3 17.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 35.0 m -122.01 118.84 29.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -103.28 86.22 2.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.509 HG21 HD23 ' A' ' 56' ' ' LEU . 91.7 t -38.43 -75.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.575 ' O ' HD12 ' A' ' 30' ' ' LEU . 4.0 pp -140.41 136.3 32.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.835 ' CG ' HD11 ' A' ' 53' ' ' LEU . 31.9 tt0 -117.65 132.78 56.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.958 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.446 ' CE ' HD23 ' A' ' 128' ' ' LEU . 4.0 ptm -159.27 143.76 15.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -74.72 123.85 25.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.957 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.8 t -141.83 176.16 9.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.568 ' HE3' ' CE1' ' A' ' 37' ' ' PHE . 28.1 tttp -114.97 146.45 41.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.7 tp -120.56 130.4 54.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.812 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.568 ' CE1' ' HE3' ' A' ' 35' ' ' LYS . 87.0 m-85 -121.18 137.29 54.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.95 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.599 HG23 ' CE1' ' A' ' 116' ' ' PHE . 5.5 p -115.1 120.88 65.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.478 ' CZ ' ' HA ' ' A' ' 44' ' ' GLN . 20.9 t80 -87.71 116.91 26.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 42' ' ' THR . 5.8 t0 -98.96 101.19 12.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.826 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.7 tttm -39.09 -29.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.934 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 40' ' ' ASP . 36.3 m -58.89 -47.09 86.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.124 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.0 t -92.03 -26.33 18.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.86 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.478 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 7.0 mm100 67.36 37.3 3.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.923 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.1 t -147.0 167.37 24.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.578 ' CH2' ' HB2' ' A' ' 117' ' ' LEU . 44.0 m95 -82.29 99.57 9.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.948 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 91.7 t -97.03 135.79 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.166 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -66.83 133.44 50.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.7 tpp180 -109.03 -48.9 3.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -177.86 127.54 1.19 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.519 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -116.6 148.88 40.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.858 0.361 . . . . 0.0 110.824 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 166.37 -118.05 0.78 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.538 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.835 HD11 ' CG ' ' A' ' 31' ' ' GLN . 51.7 tp -107.22 141.34 38.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.815 0.34 . . . . 0.0 110.962 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.426 HD12 ' O ' ' A' ' 72' ' ' VAL . 3.9 tp -137.96 131.57 31.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.977 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.659 ' NH2' HG12 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -151.55 154.06 35.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.622 HD21 ' CZ ' ' A' ' 135' ' ' ARG . 7.0 tp -95.55 115.21 27.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -101.45 137.5 39.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.911 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 59' ' ' MET . 0.8 OUTLIER -94.92 140.01 30.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.507 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 22.5 ptt? -147.68 149.24 32.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.65 150.95 30.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.099 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.481 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.6 OUTLIER -82.87 156.81 23.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.783 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.95 -46.64 5.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.092 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -90.64 -8.54 49.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.813 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -122.77 -17.57 6.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.481 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 53.33 16.54 4.93 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.444 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.4 t -102.74 173.86 6.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.809 0.337 . . . . 0.0 111.12 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.526 ' C ' HD13 ' A' ' 67' ' ' LEU . 1.9 tm? -65.11 100.37 0.43 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.567 HE22 ' HD3' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -90.6 170.65 9.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.891 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.475 ' HB3' HD12 ' A' ' 87' ' ' LEU . 68.5 m -149.8 144.28 25.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 32.2 ptt180 -142.34 151.51 42.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.449 HD13 HD13 ' A' ' 103' ' ' ILE . 8.4 mt -94.35 121.92 36.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.792 HG13 HD21 ' A' ' 81' ' ' LEU . 3.4 t -117.48 141.35 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.441 ' HG3' HD11 ' A' ' 82' ' ' ILE . 11.0 tpt -142.19 128.93 20.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.434 ' HG2' HD22 ' A' ' 81' ' ' LEU . 45.4 mtm180 -122.37 128.34 50.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.466 HG23 HD12 ' A' ' 82' ' ' ILE . 6.9 p -72.58 142.11 48.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -20.84 66.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -56.27 -78.08 0.13 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 79' ' ' LEU . 3.2 t -126.28 44.06 2.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.927 0.394 . . . . 0.0 110.895 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 78' ' ' SER . 38.2 mt 36.84 38.18 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 49.0 ttt85 -85.51 142.08 29.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.792 HD21 HG13 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -89.21 134.0 34.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.545 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -126.25 -24.47 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.833 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.437 ' O ' HD11 ' A' ' 81' ' ' LEU . 6.4 tp -126.14 107.39 10.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -134.91 69.84 1.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.42 HG21 ' HB1' ' A' ' 105' ' ' ALA . 7.3 t -110.16 152.57 25.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.567 ' HD3' HE22 ' A' ' 68' ' ' GLN . 5.9 tmmm? -100.2 124.98 46.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.627 HD23 ' HE2' ' A' ' 91' ' ' MET . 41.8 mt -56.8 141.4 44.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.568 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 46.1 p90 -127.39 154.95 44.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.96 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.401 ' HB1' ' HA ' ' A' ' 140' ' ' ARG . . . -48.1 -49.83 30.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.135 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.568 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 89.4 mm-40 -80.33 31.18 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.627 ' HE2' HD23 ' A' ' 87' ' ' LEU . 3.1 tpp -73.35 142.65 47.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -105.31 119.36 38.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.922 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.45 HD12 HD23 ' A' ' 132' ' ' LEU . 1.3 tt -151.99 117.22 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.155 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -134.04 139.2 45.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.507 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 12.1 tptm -75.89 98.51 4.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.26 -48.14 71.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.123 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.1 m -142.64 -175.29 4.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.743 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -76.6 -39.17 53.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.47 26.42 9.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.7 m -159.12 152.22 22.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.819 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.485 HD12 HD11 ' A' ' 128' ' ' LEU . 6.8 mt -140.08 158.02 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.179 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -119.34 100.7 7.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.559 ' C ' HD12 ' A' ' 103' ' ' ILE . 1.1 pp -120.71 140.77 43.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.095 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.404 ' O ' ' HE1' ' A' ' 91' ' ' MET . 37.2 p -96.65 123.46 40.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.425 ' HB3' ' CD2' ' A' ' 116' ' ' PHE . . . -134.11 170.85 15.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.533 ' HG3' HG22 ' A' ' 113' ' ' VAL . 35.2 mtt -107.2 153.16 23.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -88.32 166.42 14.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.856 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 69.1 p -87.5 -38.1 16.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -94.88 -55.94 2.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -68.17 -16.65 64.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 40.31 46.07 1.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -128.02 149.97 18.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.557 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.533 HG22 ' HG3' ' A' ' 106' ' ' MET . 60.7 t -84.84 117.77 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.903 0.383 . . . . 0.0 111.151 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.455 ' HD2' ' CZ ' ' A' ' 116' ' ' PHE . 7.2 ptpt -128.0 174.1 9.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 83.7 t -93.95 109.99 22.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.599 ' CE1' HG23 ' A' ' 38' ' ' VAL . 49.3 m-85 -98.55 171.79 7.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.974 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.578 ' HB2' ' CH2' ' A' ' 46' ' ' TRP . 3.7 tp -137.08 155.02 50.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.63 HG22 ' SG ' ' A' ' 34' ' ' CYS . 10.1 mt -134.49 101.13 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.16 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 41.7 t -92.32 111.03 22.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.78 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.957 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -137.26 177.58 7.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.084 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 122' ' ' SER . 2.9 m -61.92 145.06 54.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 121' ' ' SER . 67.1 p -37.77 -36.13 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.793 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.2 -58.15 2.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -44.39 -54.44 5.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.849 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 73.6 m -43.44 -42.04 4.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -68.82 -35.02 78.78 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.48 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -58.87 -68.32 0.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.817 0.341 . . . . 0.0 110.936 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.485 HD11 HD12 ' A' ' 101' ' ' ILE . 1.1 pp -53.34 -39.54 64.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.507 ' CZ ' ' HB2' ' A' ' 95' ' ' LYS . 18.6 t80 -59.69 -57.66 11.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -49.53 -41.33 40.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.067 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 132' ' ' LEU . . . -62.91 -66.34 0.56 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.121 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.484 ' O ' ' C ' ' A' ' 133' ' ' HIS . 9.2 mp -36.75 -67.7 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.484 ' C ' ' O ' ' A' ' 132' ' ' LEU . 2.4 t-160 -31.64 -67.15 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.825 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 135' ' ' ARG . 55.6 t60 -47.69 -57.86 5.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.861 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.622 ' CZ ' HD21 ' A' ' 56' ' ' LEU . 7.7 mmm180 -35.89 -36.98 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.434 HG12 ' HB3' ' A' ' 91' ' ' MET . 4.1 mp -85.59 -48.22 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 56.0 mt -45.08 -29.58 0.92 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.965 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -75.93 -36.38 59.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.052 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.7 mt -73.28 -56.51 4.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.935 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.401 ' HA ' ' HB1' ' A' ' 89' ' ' ALA . 5.7 ptm180 -47.83 -24.26 0.95 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 29.3 t -78.52 -42.56 29.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.824 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 24.0 mtt-85 -62.97 -48.53 78.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.81 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 99.8 t -43.32 -63.36 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.168 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -123.3 141.33 52.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.4 t -81.03 97.12 7.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -130.98 145.75 17.18 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.69 128.79 16.6 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.751 2.301 . . . . 0.0 112.309 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 38.7 m -101.5 -61.61 1.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 34.1 p -120.33 129.61 54.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.473 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -100.35 -50.0 4.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.868 0.366 . . . . 0.0 110.853 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.6 t -130.28 147.87 52.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.827 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.02 -140.95 3.12 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.494 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.6 p -139.15 166.07 25.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.866 0.365 . . . . 0.0 110.837 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.7 p -105.43 171.81 7.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.903 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.86 140.15 2.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.504 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.4 t -160.53 128.63 4.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.815 0.341 . . . . 0.0 111.096 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -135.95 145.48 46.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.55 135.74 13.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.5 ttpt -110.39 119.73 40.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 23.7 p -67.44 162.79 22.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.817 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.72 ' O ' HD12 ' A' ' 14' ' ' LEU . 2.5 tt 71.32 48.59 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.72 HD12 ' O ' ' A' ' 13' ' ' LEU . 4.6 mp -155.54 156.55 35.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 14' ' ' LEU . 31.6 mt-10 34.91 36.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.719 ' O ' HG22 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -100.12 144.77 28.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.9 m -68.17 -31.33 51.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.136 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -46.67 -36.28 6.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.84 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.719 HG22 ' O ' ' A' ' 16' ' ' LYS . 26.8 m -85.61 -31.07 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.552 HG22 ' H ' ' A' ' 23' ' ' GLU . 16.1 mt -67.08 140.35 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.4 m -86.24 -75.35 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.117 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.21 -40.53 52.52 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.51 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.552 ' H ' HG22 ' A' ' 20' ' ' ILE . 7.7 mt-10 45.06 38.53 3.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.792 0.329 . . . . 0.0 110.885 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 12.1 pt-20 -114.47 -51.98 2.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.839 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.434 ' N ' ' HG3' ' A' ' 24' ' ' GLU . . . 43.94 38.75 2.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.077 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -82.39 155.6 24.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 t -146.29 109.45 4.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.856 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -83.0 110.57 18.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.716 ' HB ' HD23 ' A' ' 56' ' ' LEU . 85.4 t -67.02 -67.39 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.465 ' O ' HD12 ' A' ' 30' ' ' LEU . 4.5 pp -135.7 139.41 43.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.918 ' CG ' HD11 ' A' ' 53' ' ' LEU . 18.7 tt0 -129.3 132.1 47.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.559 ' O ' HD12 ' A' ' 53' ' ' LEU . 5.1 ptt? -158.96 161.01 36.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -85.69 118.69 25.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.908 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.5 t -137.82 177.45 7.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.831 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -118.96 138.32 52.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.3 tp -111.99 121.96 46.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -115.53 140.86 48.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.491 HG23 ' CE1' ' A' ' 116' ' ' PHE . 8.2 p -120.61 130.06 74.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.106 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.497 ' CZ ' ' HA ' ' A' ' 44' ' ' GLN . 20.9 t80 -85.69 131.36 34.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 42' ' ' THR . 7.9 t0 -116.99 104.16 11.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.5 ptpp? -41.71 -24.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 40' ' ' ASP . 76.8 m -63.06 -43.97 97.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.154 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.1 t -101.5 -10.97 19.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.801 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.497 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 4.8 mm-40 54.75 34.42 21.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -148.46 167.94 24.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.519 ' CZ3' ' HB2' ' A' ' 117' ' ' LEU . 97.3 m95 -79.02 111.21 15.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.859 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 90.3 t -104.64 140.86 21.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -52.75 142.13 19.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -123.68 -37.01 2.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 163.06 126.24 0.81 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.443 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.7 ptp180 -117.77 149.95 39.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.82 0.343 . . . . 0.0 110.88 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 170.83 -105.98 0.23 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.55 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.918 HD11 ' CG ' ' A' ' 31' ' ' GLN . 10.8 tp -136.03 118.65 15.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.832 0.349 . . . . 0.0 110.93 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.716 HD12 ' O ' ' A' ' 72' ' ' VAL . 11.0 tp -94.73 142.19 27.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.963 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.629 ' O ' HG22 ' A' ' 72' ' ' VAL . 13.4 ptt180 -151.32 153.5 34.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.716 HD23 ' HB ' ' A' ' 29' ' ' VAL . 3.2 tp -107.47 112.56 25.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -96.12 131.87 42.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.618 ' CG ' HD21 ' A' ' 67' ' ' LEU . 8.2 t0 -97.13 142.56 28.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.478 ' CE ' ' HG3' ' A' ' 86' ' ' LYS . 19.5 ptt? -146.43 155.19 42.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.41 145.99 26.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.456 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -80.81 160.47 24.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.845 -179.786 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.0 -69.7 0.75 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -71.32 -19.76 62.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -104.78 -23.85 12.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.456 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 56.15 10.68 4.05 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.497 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.449 HG21 ' HD2' ' A' ' 142' ' ' ARG . 6.5 t -93.58 172.49 8.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.35 . . . . 0.0 111.181 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.618 HD21 ' CG ' ' A' ' 58' ' ' ASP . 3.4 tm? -65.87 100.08 0.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 59' ' ' MET . 5.9 mm-40 -91.54 165.69 13.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.465 ' C ' HD12 ' A' ' 87' ' ' LEU . 9.5 m -149.16 169.85 19.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.3 ptp85 -158.48 160.45 36.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.478 HD21 HH22 ' A' ' 135' ' ' ARG . 4.9 mt -93.17 155.24 17.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.716 ' O ' HD12 ' A' ' 54' ' ' LEU . 0.9 OUTLIER -153.03 153.69 8.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.819 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.403 ' HB3' ' HB3' ' A' ' 83' ' ' LEU . 8.3 tpt -153.18 113.55 4.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.44 ' NH1' ' NH1' ' A' ' 55' ' ' ARG . 30.3 mtm180 -106.1 129.89 54.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.7 p -74.11 152.61 39.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.101 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -80.39 83.6 6.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -176.74 -71.91 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.498 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.5 m -130.22 39.9 3.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.815 0.34 . . . . 0.0 110.839 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.41 HD22 ' HD2' ' A' ' 74' ' ' ARG . 35.9 mt 39.85 46.9 1.75 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.955 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -85.67 118.19 25.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.556 HD13 ' N ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -80.3 132.8 35.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.556 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -125.96 -22.18 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.828 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.513 ' O ' HD11 ' A' ' 81' ' ' LEU . 11.3 tp -124.84 107.88 11.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -142.0 105.02 4.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.7 t -139.88 156.36 46.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.478 ' HG3' ' CE ' ' A' ' 59' ' ' MET . 23.7 ttpt -97.6 123.09 41.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.84 HD13 ' HB3' ' A' ' 135' ' ' ARG . 1.1 mt -57.91 154.78 11.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.957 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.613 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 48.3 p90 -140.59 150.4 43.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.871 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -46.61 -43.95 17.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.613 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 3.1 mp0 -82.11 24.8 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.522 ' HA ' ' CE2' ' A' ' 88' ' ' TRP . 3.7 tpp -68.26 135.28 51.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -99.11 123.61 43.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.962 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.632 HD12 HD22 ' A' ' 132' ' ' LEU . 1.2 tt -154.42 113.78 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.081 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -128.28 142.99 50.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.828 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -82.46 95.19 7.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.23 -43.92 85.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.089 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.7 t -149.12 171.32 16.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.782 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -75.12 -4.38 38.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 23.8 mtmt -129.36 -2.95 4.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.444 ' OG ' HD21 ' A' ' 117' ' ' LEU . 1.2 t -136.76 146.66 46.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.457 HD11 ' O ' ' A' ' 125' ' ' THR . 54.2 mt -138.24 138.37 43.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.146 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.43 ' CE1' ' CD1' ' A' ' 117' ' ' LEU . 0.4 OUTLIER -102.94 104.44 14.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.816 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.468 ' C ' HD12 ' A' ' 103' ' ' ILE . 0.9 OUTLIER -118.45 143.53 29.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.142 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 10.3 p -98.5 118.34 34.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -136.18 166.96 22.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.135 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.514 ' HG3' HG22 ' A' ' 113' ' ' VAL . 40.2 mtt -98.55 136.43 38.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.488 ' OD2' ' N ' ' A' ' 110' ' ' ASP . 3.9 p-10 -83.84 169.4 15.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.935 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 48.4 p -104.56 -14.82 15.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -86.36 -57.0 3.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.913 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.488 ' N ' ' OD2' ' A' ' 107' ' ' ASP . 23.4 t70 -100.09 8.72 43.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.486 ' N ' ' OD2' ' A' ' 107' ' ' ASP . 11.1 mt-30 34.81 51.6 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.418 ' H ' ' CG ' ' A' ' 107' ' ' ASP . . . -132.11 167.91 22.72 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.487 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.514 HG22 ' HG3' ' A' ' 106' ' ' MET . 58.5 t -96.84 118.8 43.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.875 0.369 . . . . 0.0 111.121 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.418 ' HB3' ' NZ ' ' A' ' 114' ' ' LYS . 1.4 ptpm? -132.76 162.86 30.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.926 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 89.5 t -83.17 112.92 21.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.199 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.491 ' CE1' HG23 ' A' ' 38' ' ' VAL . 58.3 m-85 -99.76 173.91 6.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.519 ' HB2' ' CZ3' ' A' ' 46' ' ' TRP . 3.4 tp -137.24 156.54 48.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.566 HD13 ' CD1' ' A' ' 128' ' ' LEU . 24.9 mt -133.53 107.64 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.162 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.3 t -96.4 109.35 21.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.908 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -139.93 172.79 12.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.058 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 122' ' ' SER . 45.7 t -59.13 144.74 44.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 121' ' ' SER . 5.1 p -37.32 -35.16 0.11 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -86.91 -63.68 1.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 127' ' ' GLN . 24.4 m-20 -40.31 -61.04 0.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.926 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.593 ' HA ' HD21 ' A' ' 128' ' ' LEU . 19.7 m -36.05 -35.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 124' ' ' ASP . . . -73.23 -41.46 46.51 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.422 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 124' ' ' ASP . 6.4 mt-30 -42.72 -69.51 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.853 0.359 . . . . 0.0 110.9 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.911 ' O ' HD12 ' A' ' 132' ' ' LEU . 1.2 pt? -53.08 -40.8 64.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.959 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.507 ' N ' ' HG ' ' A' ' 128' ' ' LEU . 16.7 t80 -53.81 -63.0 1.29 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -48.94 -19.08 0.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.102 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 128' ' ' LEU . . . -88.43 -59.99 2.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.095 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.911 HD12 ' O ' ' A' ' 128' ' ' LEU . 3.6 mp -38.02 -63.82 0.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.536 ' ND1' HD11 ' A' ' 137' ' ' LEU . 2.2 t-160 -34.25 -64.62 0.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.961 ' HA ' HD12 ' A' ' 137' ' ' LEU . 55.4 t60 -47.1 -59.5 3.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.84 ' HB3' HD13 ' A' ' 87' ' ' LEU . 46.1 mtm180 -36.01 -30.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.527 ' N ' HD12 ' A' ' 136' ' ' ILE . 3.6 mp -94.28 -46.88 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.106 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.961 HD12 ' HA ' ' A' ' 134' ' ' HIS . 5.8 mt -50.94 -33.12 23.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -69.36 -24.89 63.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.14 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.1 mt -90.21 -55.73 3.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.477 ' CG ' ' HA ' ' A' ' 137' ' ' LEU . 2.7 ptp180 -57.58 -19.09 23.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 47.1 t -75.43 -35.16 61.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ARG . . . . . 0.484 ' CZ ' ' HB3' ' A' ' 142' ' ' ARG . 5.3 mtp-105 -72.65 -51.68 18.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.498 HG23 ' N ' ' A' ' 144' ' ' GLU . 26.9 m -55.47 -46.42 78.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' GLU . . . . . 0.498 ' N ' HG23 ' A' ' 143' ' ' VAL . 5.3 mm-40 -137.98 118.56 13.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.821 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 28.0 t -126.8 123.12 36.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -71.12 165.38 53.26 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -2.12 9.6 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.685 2.257 . . . . 0.0 112.343 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 58.4 m -57.82 141.36 49.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.791 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 34.6 p -108.62 154.79 21.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.506 -179.966 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.541 -0.223 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.7 p -128.41 153.48 47.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.88 0.371 . . . . 0.0 110.869 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.7 t -88.12 -54.89 3.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.829 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.04 -179.76 45.19 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.509 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -132.91 122.49 24.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.836 0.351 . . . . 0.0 110.89 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.2 p -112.37 174.53 5.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.98 128.87 2.0 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.538 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.7 t -172.48 163.97 5.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.811 0.339 . . . . 0.0 111.1 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.55 178.71 4.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.085 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.47 154.29 14.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.922 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.5 -3.72 19.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.9 m -150.61 108.85 3.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.503 HD23 ' HE3' ' A' ' 16' ' ' LYS . 25.1 tp -77.28 121.34 23.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 mp -70.95 -31.73 68.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -84.58 23.77 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.503 ' HE3' HD23 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -89.56 151.44 21.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.962 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.496 ' O ' ' N ' ' A' ' 20' ' ' ILE . 2.0 t -93.62 -37.15 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.114 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 17' ' ' VAL . 9.5 pt-20 -37.09 -39.38 0.24 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.0 m -80.39 -36.44 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.139 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.496 ' N ' ' O ' ' A' ' 17' ' ' VAL . 71.1 mt -66.88 136.86 25.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.181 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.9 m -80.74 -74.69 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -168.25 49.94 0.23 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.434 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 24' ' ' GLU . 16.0 pt-20 -95.26 43.79 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.339 . . . . 0.0 110.818 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.469 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 17.0 pt-20 -34.72 -49.01 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.469 ' N ' ' HG3' ' A' ' 24' ' ' GLU . . . 44.95 26.03 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -128.94 160.59 32.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.9 t -122.58 153.81 38.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -126.92 88.1 2.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.504 ' HB ' HD23 ' A' ' 56' ' ' LEU . 76.9 t -47.99 -60.7 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.086 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 pp -151.86 140.58 20.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.868 ' CG ' HD11 ' A' ' 53' ' ' LEU . 31.0 tt0 -117.96 138.53 52.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.6 ptm -161.31 130.46 4.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -67.72 130.53 43.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.726 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 2.2 t -151.04 177.23 10.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -114.86 162.63 16.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.432 HD23 ' HD2' ' A' ' 49' ' ' ARG . 11.0 tp -128.65 121.25 28.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.962 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -116.21 117.43 30.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.7 p -104.68 137.88 31.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.077 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.429 ' CZ ' ' HA ' ' A' ' 44' ' ' GLN . 10.8 t80 -85.35 132.68 34.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 42' ' ' THR . 4.6 m-20 -121.16 104.4 9.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 40' ' ' ASP . 2.8 ptpp? -37.88 -27.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.828 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.492 ' N ' ' O ' ' A' ' 40' ' ' ASP . 36.4 m -60.29 -49.5 77.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.18 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.5 t -91.93 -24.48 19.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.429 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 5.3 mm-40 66.61 36.01 5.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.9 m -161.38 -178.44 6.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.518 ' CH2' ' HB2' ' A' ' 117' ' ' LEU . 68.6 m95 -72.36 113.8 9.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 71.1 t -109.83 135.96 47.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.075 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.413 ' HG3' ' NH2' ' A' ' 51' ' ' ARG . 7.1 tm-20 -52.15 132.05 32.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.432 ' HD2' HD23 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -120.73 -31.18 4.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.839 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 158.81 132.98 1.45 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.506 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.413 ' NH2' ' HG3' ' A' ' 48' ' ' GLU . 1.5 ptp85 -120.8 141.29 50.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.764 0.316 . . . . 0.0 110.928 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.12 -134.66 3.18 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.488 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.868 HD11 ' CG ' ' A' ' 31' ' ' GLN . 43.9 tp -96.44 148.72 22.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.809 0.338 . . . . 0.0 110.924 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.541 HD12 ' O ' ' A' ' 72' ' ' VAL . 4.6 tp -142.89 133.32 24.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.565 ' NH2' HG12 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -151.33 155.38 38.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.006 HD22 ' HB1' ' A' ' 131' ' ' ALA . 3.3 tp -91.64 110.86 22.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -92.44 142.65 27.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -108.49 138.79 44.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.496 ' O ' ' N ' ' A' ' 68' ' ' GLN . 21.7 ptt? -150.14 152.54 34.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -83.21 157.36 22.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.476 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -88.34 157.66 18.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 -179.759 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.7 -47.87 5.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.157 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -90.32 -9.59 47.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.878 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.411 ' HB2' HG22 ' A' ' 66' ' ' THR . 2.4 m-20 -121.59 -14.56 8.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.476 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 50.07 16.22 1.25 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.451 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.411 HG22 ' HB2' ' A' ' 64' ' ' ASP . 12.0 t -99.25 174.61 6.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.878 0.37 . . . . 0.0 111.122 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.417 ' C ' HD13 ' A' ' 67' ' ' LEU . 2.5 tm? -68.3 99.9 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.587 HE22 ' HD3' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -87.95 170.79 10.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.902 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.9 m -155.76 150.51 26.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.808 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.426 ' CB ' ' HA ' ' A' ' 86' ' ' LYS . 1.9 ptp180 -146.26 163.06 36.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.845 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.998 HD21 HD21 ' A' ' 132' ' ' LEU . 7.0 mt -102.48 121.78 43.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.671 HG22 ' OD1' ' A' ' 84' ' ' ASN . 3.2 t -117.45 142.22 32.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.616 ' HB2' HD23 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -144.95 124.4 13.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.848 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.477 ' N ' ' SD ' ' A' ' 73' ' ' MET . 83.3 mtt180 -122.04 127.94 50.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.88 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.2 p -68.59 152.0 45.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.17 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.451 ' CD ' ' O ' ' A' ' 76' ' ' GLN . 0.0 OUTLIER -78.45 132.12 37.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 128.98 -69.23 0.53 Allowed Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.478 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.6 p -128.03 28.72 5.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.921 0.391 . . . . 0.0 110.872 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.408 HD22 ' HD2' ' A' ' 74' ' ' ARG . 42.9 mt 37.7 53.31 1.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -85.38 102.12 13.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.833 HD13 ' N ' ' A' ' 82' ' ' ILE . 0.5 OUTLIER -58.72 134.04 56.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.833 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -129.24 -30.29 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.092 179.9 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.616 HD23 ' HB2' ' A' ' 73' ' ' MET . 3.8 tp -122.83 130.94 53.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.959 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.671 ' OD1' HG22 ' A' ' 72' ' ' VAL . 15.5 m-20 -163.38 105.82 0.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.2 t -147.25 141.26 25.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.587 ' HD3' HE22 ' A' ' 68' ' ' GLN . 3.8 tmmm? -82.87 128.98 34.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.723 HD23 ' CE ' ' A' ' 91' ' ' MET . 27.6 mt -61.21 136.36 58.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.945 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.556 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 42.1 p90 -116.32 160.51 20.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.992 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.67 -45.33 70.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.112 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.556 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 27.1 mm-40 -83.93 32.31 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.958 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.723 ' CE ' HD23 ' A' ' 87' ' ' LEU . 1.1 tpp -68.7 138.59 55.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -106.2 111.46 24.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.9 tt -145.84 116.98 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.076 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -125.68 144.56 50.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 11.1 tptm -86.43 95.43 9.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.02 -38.38 90.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.104 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.4 t -160.75 172.6 16.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -77.41 -0.27 25.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 51.5 mttt -121.06 -27.78 4.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 80.2 p -122.7 154.4 38.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.828 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.453 HD13 ' HB2' ' A' ' 129' ' ' TYR . 7.2 mt -138.71 144.84 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.12 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.689 ' CD2' HD12 ' A' ' 117' ' ' LEU . 11.2 m170 -111.28 109.65 19.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.802 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.533 ' C ' HD12 ' A' ' 103' ' ' ILE . 1.2 pp -125.9 143.39 39.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.073 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 35.6 p -98.76 126.69 44.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.19 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -140.09 167.64 21.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.794 ' HG3' HG22 ' A' ' 113' ' ' VAL . 10.0 mtt -95.06 161.93 13.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -96.8 171.51 8.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 72.1 p -93.45 -37.06 12.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -100.18 -54.99 2.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -65.0 -13.06 56.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 40.92 45.01 2.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -137.4 150.7 20.85 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.561 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.794 HG22 ' HG3' ' A' ' 106' ' ' MET . 43.6 t -81.34 138.47 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.961 0.41 . . . . 0.0 111.109 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -144.0 176.65 9.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 45.4 t -94.12 102.67 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.062 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -95.86 136.75 35.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.689 HD12 ' CD2' ' A' ' 102' ' ' HIS . 4.8 tp -101.08 155.27 18.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.593 HD13 ' CD2' ' A' ' 128' ' ' LEU . 57.5 mt -129.79 102.83 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.193 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 46.7 t -94.05 104.53 16.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.726 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -134.07 174.77 10.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.098 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 122' ' ' SER . 47.7 t -69.91 141.67 53.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.803 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 121' ' ' SER . 5.5 p -35.97 -35.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 121' ' ' SER . 52.0 tptt -79.85 -60.22 2.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.858 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 125' ' ' THR . 69.9 m-20 -50.96 -53.78 30.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.429 HG23 HD11 ' A' ' 101' ' ' ILE . 47.2 m -36.83 -52.22 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -55.58 -54.96 31.19 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.52 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -40.76 -69.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 110.94 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.593 ' CD2' HD13 ' A' ' 118' ' ' ILE . 30.8 tp -47.75 -66.95 0.32 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 95' ' ' LYS . 37.9 t80 -35.94 -59.5 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -47.79 -42.68 26.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.109 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 1.006 ' HB1' HD22 ' A' ' 56' ' ' LEU . . . -61.88 -69.53 0.24 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.09 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.998 HD21 HD21 ' A' ' 71' ' ' LEU . 11.0 mp -45.43 -69.08 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.452 ' C ' ' O ' ' A' ' 132' ' ' LEU . 11.9 t-80 -34.3 -55.82 0.51 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 135' ' ' ARG . 13.3 t-80 -55.59 -58.89 5.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.947 ' HE ' HD21 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -37.93 -42.32 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 -179.899 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.611 HD11 HD22 ' A' ' 87' ' ' LEU . 2.9 mm -64.69 -53.7 38.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 36.6 mt -38.74 -40.28 0.59 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -67.28 -39.35 86.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.102 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 136' ' ' ILE . 4.6 mt -71.11 -55.73 7.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -42.03 -40.16 2.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 33.3 t -56.04 -41.86 75.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ARG . . . . . 0.427 ' O ' ' C ' ' A' ' 143' ' ' VAL . 27.1 mtp85 -53.2 -43.43 67.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.427 ' C ' ' O ' ' A' ' 142' ' ' ARG . 89.3 t -35.25 -56.14 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.088 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -132.87 139.14 47.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 36.3 p -74.03 101.19 3.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.817 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -89.86 -176.83 45.31 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.531 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -1.72 8.98 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.608 2.205 . . . . 0.0 112.362 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 98.8 p -44.02 99.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 89.9 p -77.51 136.66 38.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.445 179.968 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 t -156.53 164.08 38.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.829 0.347 . . . . 0.0 110.84 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.6 p -86.93 165.61 15.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.908 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.14 52.33 0.8 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.466 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.6 p -115.58 171.19 7.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.832 0.349 . . . . 0.0 110.918 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.2 p -63.99 124.62 22.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.84 49.37 0.58 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.452 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.6 t -85.08 162.42 19.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.804 0.335 . . . . 0.0 111.131 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -145.14 174.99 10.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.103 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.23 158.89 43.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.4 mmtm -141.86 124.0 15.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.0 t -173.0 115.56 0.27 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 13' ' ' LEU . 11.5 mt -160.11 -176.68 5.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.7 mt -50.19 -41.5 49.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.917 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.426 ' CD ' ' H ' ' A' ' 15' ' ' GLU . 7.5 pm0 -76.78 59.51 1.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.819 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -74.71 155.06 38.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.799 HG22 HD12 ' A' ' 20' ' ' ILE . 2.0 t -82.89 -41.04 16.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.149 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -39.66 -33.02 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.2 m -88.93 -31.17 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.799 HD12 HG22 ' A' ' 17' ' ' VAL . 80.9 mt -51.24 158.84 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.172 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.502 ' N ' HG22 ' A' ' 20' ' ' ILE . 0.2 OUTLIER -102.19 164.09 11.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.092 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 25' ' ' ALA . . . 77.14 -38.61 1.58 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.475 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.4 ' OE2' ' O ' ' A' ' 17' ' ' VAL . 1.1 pt-20 -40.59 -40.4 1.25 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.854 0.359 . . . . 0.0 110.875 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.404 ' CD ' ' H ' ' A' ' 24' ' ' GLU . 1.3 pm0 -81.06 -28.01 35.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 22' ' ' GLY . . . -98.83 29.29 3.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.144 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -66.02 -175.85 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.2 m -96.8 148.64 22.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -130.47 114.41 15.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.0 t -68.09 -66.58 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.109 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.492 HD11 ' HA ' ' A' ' 128' ' ' LEU . 4.5 pp -138.63 140.44 38.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.839 ' CG ' HD11 ' A' ' 53' ' ' LEU . 25.1 tt0 -126.47 134.87 50.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.82 ' CE ' HD23 ' A' ' 128' ' ' LEU . 4.1 ptm -161.27 142.43 11.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -70.44 122.31 19.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.721 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.8 t -139.17 177.89 7.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -116.64 159.57 22.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.587 HD21 ' CD2' ' A' ' 116' ' ' PHE . 5.2 tp -130.49 135.09 47.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -135.35 135.69 40.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.56 ' CG1' ' CE2' ' A' ' 116' ' ' PHE . 31.3 m -121.59 150.25 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -87.34 134.34 33.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.838 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.48 ' O ' ' C ' ' A' ' 41' ' ' LYS . 1.4 t0 -122.96 93.14 3.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.48 ' C ' ' O ' ' A' ' 40' ' ' ASP . 3.6 ttmm -31.38 -38.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 40' ' ' ASP . 9.9 m -54.51 -51.75 64.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 40' ' ' ASP . 8.7 t -85.75 -26.26 25.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 65.97 38.6 4.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 34.1 m -164.61 174.77 10.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 63.8 m95 -71.35 125.68 27.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 76.7 t -118.7 135.12 60.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.064 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -62.62 121.82 14.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -103.19 -37.42 7.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 169.06 118.1 0.43 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.486 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -111.7 137.69 49.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.798 0.333 . . . . 0.0 110.885 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.568 ' H ' ' HE1' ' A' ' 73' ' ' MET . . . 177.76 -127.27 1.16 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.421 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.839 HD11 ' CG ' ' A' ' 31' ' ' GLN . 57.4 tp -98.42 134.88 40.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.342 . . . . 0.0 110.989 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.64 HD12 ' O ' ' A' ' 72' ' ' VAL . 4.4 tp -131.94 134.77 46.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.27 153.02 34.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.711 HD21 ' HD2' ' A' ' 135' ' ' ARG . 5.2 tp -96.4 108.21 20.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -92.51 143.68 26.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.823 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -111.44 126.67 55.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.495 ' O ' ' N ' ' A' ' 68' ' ' GLN . 11.7 ptt? -128.44 161.08 30.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.33 147.66 25.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.062 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.473 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.5 OUTLIER -83.63 156.07 22.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.882 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.88 -51.44 3.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.145 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -86.25 -10.37 54.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.808 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -119.63 -17.34 8.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.473 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 52.61 14.07 2.29 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.49 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.1 t -99.17 174.66 6.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.821 0.343 . . . . 0.0 111.129 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.449 ' C ' HD13 ' A' ' 67' ' ' LEU . 2.4 tm? -68.43 99.49 0.96 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 59' ' ' MET . 6.6 mm-40 -88.67 171.03 10.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.2 m -151.18 164.79 35.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -155.79 163.36 39.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.939 HD21 HD11 ' A' ' 132' ' ' LEU . 9.7 mt -104.44 119.35 38.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.959 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.64 ' O ' HD12 ' A' ' 54' ' ' LEU . 2.3 t -120.9 146.56 25.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.11 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.568 ' HE1' ' H ' ' A' ' 52' ' ' GLY . 12.2 tpt -149.21 114.27 5.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.8 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.445 ' CZ ' HD12 ' A' ' 79' ' ' LEU . 42.7 mtp180 -105.7 130.72 53.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.562 HG23 HD12 ' A' ' 82' ' ' ILE . 12.9 p -68.23 155.64 39.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.083 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.435 ' CD ' ' O ' ' A' ' 76' ' ' GLN . 3.3 pp0? -92.33 39.97 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -123.73 -69.23 0.22 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.508 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 79' ' ' LEU . 7.5 m -134.18 43.33 2.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.888 0.375 . . . . 0.0 110.795 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.445 HD12 ' CZ ' ' A' ' 74' ' ' ARG . 4.0 mm? 37.28 53.51 1.28 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.826 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.402 ' HD2' ' O ' ' A' ' 81' ' ' LEU . 1.1 tpp85 -104.59 110.44 22.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.574 HD11 ' O ' ' A' ' 83' ' ' LEU . 0.1 OUTLIER -66.76 129.87 41.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.896 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.647 ' H ' HD13 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -124.02 -21.2 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.096 179.857 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.574 ' O ' HD11 ' A' ' 81' ' ' LEU . 6.9 tp -127.73 112.18 14.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.451 ' C ' ' OD1' ' A' ' 84' ' ' ASN . 9.6 t-20 -145.03 105.09 4.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.7 t -144.52 154.92 43.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.075 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.476 ' HD2' ' NE2' ' A' ' 68' ' ' GLN . 19.8 ttpt -99.3 123.83 43.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.645 HD23 ' HE2' ' A' ' 91' ' ' MET . 15.4 mt -56.66 139.05 51.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.558 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 42.9 p90 -120.52 161.43 21.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.437 ' HB1' ' HA ' ' A' ' 140' ' ' ARG . . . -54.44 -46.1 73.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.176 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.558 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 72.5 mm-40 -83.19 32.45 0.44 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.645 ' HE2' HD23 ' A' ' 87' ' ' LEU . 1.5 tpp -72.68 135.73 45.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -102.56 118.5 36.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.7 tt -149.22 134.15 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.157 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -148.51 144.14 27.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.66 ' HE3' HG22 ' A' ' 125' ' ' THR . 12.0 tptm -85.13 93.95 8.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.985 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.6 -48.93 76.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.8 t -146.5 -178.95 6.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.802 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -66.04 -39.9 90.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.837 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -110.7 32.57 5.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 39.8 p -156.88 139.66 15.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.665 ' CD1' HD11 ' A' ' 128' ' ' LEU . 3.6 mt -133.67 148.1 30.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.186 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.597 ' CE1' ' CD1' ' A' ' 117' ' ' LEU . 4.6 m80 -118.17 103.31 9.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.492 ' C ' HD12 ' A' ' 103' ' ' ILE . 1.4 pp -120.84 146.8 25.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.131 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.417 ' O ' ' HE1' ' A' ' 91' ' ' MET . 21.0 p -102.65 123.11 45.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.426 ' HB3' ' CD1' ' A' ' 116' ' ' PHE . . . -143.39 175.98 9.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.116 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 17.8 mtt -108.6 155.47 20.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.82 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -103.1 167.36 9.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.815 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.3 -36.67 13.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.16 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -82.24 -56.89 3.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -70.68 -34.93 72.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 62.88 46.12 5.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -142.67 152.74 24.09 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.448 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 92.6 t -75.78 96.53 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.966 0.412 . . . . 0.0 111.093 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.564 ' HG3' ' CE1' ' A' ' 116' ' ' PHE . 1.6 ptpm? -108.24 156.39 19.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 98.1 t -80.73 113.17 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.171 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.587 ' CD2' HD21 ' A' ' 36' ' ' LEU . 91.9 m-85 -98.96 137.88 36.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.96 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.597 ' CD1' ' CE1' ' A' ' 102' ' ' HIS . 3.3 tp -103.22 157.17 17.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.537 HD12 ' HB ' ' A' ' 101' ' ' ILE . 10.3 mt -137.5 106.82 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.8 t -103.73 115.57 30.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.721 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -143.99 174.36 10.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.076 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 74.0 m -53.86 151.15 6.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 96.5 p -41.04 -44.21 2.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.88 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -81.05 -59.88 2.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.923 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 127' ' ' GLN . 1.1 m-20 -38.96 -59.52 0.96 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.66 HG22 ' HE3' ' A' ' 95' ' ' LYS . 93.9 m -41.76 -37.36 1.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.137 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -76.45 -31.54 54.13 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.529 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 124' ' ' ASP . 6.9 mt-30 -59.3 -68.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.829 0.347 . . . . 0.0 110.939 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.859 HD12 ' N ' ' A' ' 129' ' ' TYR . 2.4 pp -57.06 -40.35 76.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.859 ' N ' HD12 ' A' ' 128' ' ' LEU . 16.7 t80 -59.43 -68.6 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 129' ' ' TYR . . . -37.88 -33.28 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.092 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.46 ' HB1' HD22 ' A' ' 56' ' ' LEU . . . -73.76 -46.95 42.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.1 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.939 HD11 HD21 ' A' ' 71' ' ' LEU . 3.4 mm? -49.28 -71.33 0.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.458 ' C ' ' O ' ' A' ' 132' ' ' LEU . 7.7 t-160 -33.88 -70.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.876 ' HA ' HD12 ' A' ' 137' ' ' LEU . 23.9 t-80 -40.32 -60.01 1.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.917 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.711 ' HD2' HD21 ' A' ' 56' ' ' LEU . 9.9 mmp_? -40.22 -34.38 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.829 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.511 ' N ' HD13 ' A' ' 136' ' ' ILE . 2.3 mm -79.92 -51.73 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.099 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.876 HD12 ' HA ' ' A' ' 134' ' ' HIS . 16.4 mt -42.12 -30.17 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -68.81 -39.63 79.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 136' ' ' ILE . 3.3 mt -75.42 -56.39 4.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.91 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.49 ' CG ' ' HA ' ' A' ' 137' ' ' LEU . 5.8 ptp180 -56.91 -12.69 2.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 41.6 t -87.07 -21.84 25.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 39.2 mtp85 -77.84 -45.02 25.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.601 HG23 ' N ' ' A' ' 144' ' ' GLU . 27.8 m -55.83 -52.13 52.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.067 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' GLU . . . . . 0.601 ' N ' HG23 ' A' ' 143' ' ' VAL . 3.4 pt-20 -118.95 159.9 22.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.9 t -147.84 112.86 5.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -100.3 -162.5 28.4 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 2.82 3.2 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.738 2.292 . . . . 0.0 112.281 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 7.4 p 62.26 43.06 8.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.838 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 6.9 t -42.85 -33.48 0.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.802 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.534 -179.879 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -171.46 131.5 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.341 . . . . 0.0 110.813 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.9 t -138.36 127.89 24.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.81 87.58 0.2 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t -129.14 125.0 36.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.881 0.372 . . . . 0.0 110.857 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -104.16 137.35 42.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.61 113.04 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.62 -40.09 7.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.153 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -174.94 148.56 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.065 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.37 157.79 9.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.858 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.7 tttp -150.28 116.66 5.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 21.9 p -160.27 162.4 33.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.3 mt -125.05 152.43 44.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 15' ' ' GLU . 11.2 mt -91.27 167.18 12.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 14' ' ' LEU . 34.0 mt-10 36.95 38.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.469 ' HG2' ' CG ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -97.38 159.04 15.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.579 ' HA ' HD12 ' A' ' 20' ' ' ILE . 2.1 t -94.93 -44.51 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.469 ' CG ' ' HG2' ' A' ' 16' ' ' LYS . 0.7 OUTLIER -38.07 -37.65 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.458 HG13 ' OE1' ' A' ' 18' ' ' GLU . 2.2 m -78.95 -36.58 18.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.121 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.579 HD12 ' HA ' ' A' ' 17' ' ' VAL . 96.5 mt -57.77 158.68 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.076 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.518 ' N ' HG22 ' A' ' 20' ' ' ILE . 0.8 OUTLIER -40.17 128.97 2.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.122 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.84 73.6 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.482 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 21' ' ' THR . 9.8 mt-10 -56.78 -27.11 59.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 0.0 110.874 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -117.07 -22.05 8.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.86 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -94.49 42.38 1.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.093 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -133.57 151.16 51.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.853 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 m -126.48 153.06 45.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.871 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -116.38 90.09 3.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.416 ' CB ' HD23 ' A' ' 56' ' ' LEU . 92.4 t -51.01 -73.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.113 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 pp -142.6 144.37 32.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.658 ' CG ' HD11 ' A' ' 53' ' ' LEU . 20.6 tt0 -126.58 132.78 51.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.6 133.64 9.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.82 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -60.0 133.65 56.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.665 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 2.0 t -151.43 178.52 9.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -126.13 145.67 50.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.4 HD11 ' CD1' ' A' ' 116' ' ' PHE . 22.4 tp -108.93 129.54 55.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.48 ' HD2' HD23 ' A' ' 117' ' ' LEU . 22.6 m-85 -129.97 139.86 51.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.642 ' CG1' ' CE1' ' A' ' 116' ' ' PHE . 10.7 m -131.34 149.77 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.46 ' C ' ' CD1' ' A' ' 39' ' ' PHE . 5.6 t80 -91.12 122.42 33.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 42' ' ' THR . 23.5 t0 -114.1 102.68 10.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 40' ' ' ASP . 2.8 ptpp? -35.53 -31.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.486 ' N ' ' O ' ' A' ' 40' ' ' ASP . 37.2 m -57.51 -49.01 77.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 40' ' ' ASP . 28.4 t -93.03 -24.87 18.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 68.51 36.47 2.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 t -163.9 -179.9 6.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 73.0 m95 -73.12 133.09 44.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 57.6 t -125.67 143.19 40.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -67.68 110.99 3.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.495 ' O ' ' CD ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -95.98 1.2 52.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 135.89 116.71 1.61 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.53 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -106.29 150.56 25.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.36 . . . . 0.0 110.86 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 164.46 -121.0 0.98 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.519 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.658 HD11 ' CG ' ' A' ' 31' ' ' GLN . 43.7 tp -115.4 148.85 38.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.822 0.344 . . . . 0.0 110.945 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.726 HD12 ' O ' ' A' ' 72' ' ' VAL . 3.6 tp -139.76 134.91 32.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.549 ' NH1' HG11 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -151.18 151.25 31.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.923 HD22 ' HB1' ' A' ' 131' ' ' ALA . 2.2 tp -89.94 109.1 20.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -92.49 149.02 21.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.518 ' CG ' HD21 ' A' ' 67' ' ' LEU . 0.9 OUTLIER -110.33 134.24 52.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.463 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 16.9 ptt? -135.43 148.24 49.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -82.72 135.71 34.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.087 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.451 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -72.46 150.66 43.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.83 -179.759 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.07 -56.5 2.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.146 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -80.87 -6.17 58.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -121.75 -25.07 5.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.451 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 61.39 6.76 8.54 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.512 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.412 HG21 ' HD3' ' A' ' 142' ' ' ARG . 12.9 t -93.59 174.66 7.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.816 0.341 . . . . 0.0 111.165 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.518 HD21 ' CG ' ' A' ' 58' ' ' ASP . 3.3 tm? -68.37 100.03 1.01 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.407 ' HG3' ' CB ' ' A' ' 61' ' ' SER . 5.4 mm-40 -90.95 166.88 12.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.466 ' HB3' HD12 ' A' ' 87' ' ' LEU . 3.9 m -149.38 162.61 39.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -153.2 154.01 33.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.091 HD21 HD21 ' A' ' 132' ' ' LEU . 9.7 mt -96.87 114.0 25.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.936 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.726 ' O ' HD12 ' A' ' 54' ' ' LEU . 2.2 t -112.71 148.99 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.166 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.568 ' SD ' HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -142.46 112.86 7.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 27.8 mtt-85 -100.68 136.42 40.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 26.0 p -78.71 169.62 17.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.132 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -86.0 141.49 29.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.45 -53.19 2.75 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.508 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 t -101.34 128.91 47.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.965 0.412 . . . . 0.0 110.83 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -81.4 41.36 0.61 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.937 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -88.92 142.83 27.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.655 HD13 ' H ' ' A' ' 82' ' ' ILE . 0.1 OUTLIER -97.81 138.22 35.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.655 ' H ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -128.37 -26.54 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.838 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.517 ' O ' HD11 ' A' ' 81' ' ' LEU . 5.7 tp -126.73 112.5 15.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.4 ' C ' ' OD1' ' A' ' 84' ' ' ASN . 34.9 t-20 -144.9 105.51 4.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.3 t -148.5 152.12 36.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.211 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.8 127.62 42.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.903 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.581 HD22 HD11 ' A' ' 136' ' ' ILE . 8.5 mt -58.28 136.82 57.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.579 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 48.3 p90 -120.63 155.46 33.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.792 ' HB1' ' HA ' ' A' ' 140' ' ' ARG . . . -47.87 -47.89 31.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.579 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 6.2 mp0 -82.03 29.04 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.515 ' HA ' ' CE2' ' A' ' 88' ' ' TRP . 1.4 tpp -69.04 133.78 48.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.899 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -98.36 109.53 22.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.946 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.8 tt -147.2 112.71 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.14 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -126.1 142.4 51.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.422 ' HE3' HG22 ' A' ' 125' ' ' THR . 11.2 tptm -77.09 96.73 4.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.96 -29.76 65.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.1 t -169.51 162.89 10.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -68.4 -7.89 35.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.835 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -126.54 -5.69 6.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.956 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 59.9 p -138.36 139.36 38.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.66 HD11 HG23 ' A' ' 125' ' ' THR . 3.8 mt -133.75 144.2 36.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.177 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.789 ' CD2' HD12 ' A' ' 117' ' ' LEU . 8.2 m170 -111.47 100.66 9.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.628 HD13 HD13 ' A' ' 71' ' ' LEU . 1.3 pp -116.43 144.69 23.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.434 ' O ' ' HE1' ' A' ' 91' ' ' MET . 44.4 p -99.74 126.73 45.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.187 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.529 ' HB3' ' CD2' ' A' ' 116' ' ' PHE . . . -137.21 160.07 40.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.095 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.588 ' HG3' HG22 ' A' ' 113' ' ' VAL . 24.8 mtt -89.41 156.22 18.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -89.62 156.95 18.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 80.6 p -78.28 -45.28 23.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.06 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -98.75 -45.41 6.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.74 -18.78 62.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.823 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 44.07 48.71 7.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -134.22 145.58 17.64 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.588 HG22 ' HG3' ' A' ' 106' ' ' MET . 61.0 t -81.95 111.79 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.893 0.378 . . . . 0.0 111.136 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.526 ' HG3' ' CE2' ' A' ' 116' ' ' PHE . 1.9 ptpt -117.94 167.24 11.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.905 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 54.5 t -85.67 105.8 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.172 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.642 ' CE1' ' CG1' ' A' ' 38' ' ' VAL . 64.4 m-85 -96.22 145.19 25.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.789 HD12 ' CD2' ' A' ' 102' ' ' HIS . 3.5 tp -108.35 156.91 18.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.851 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.504 HD12 ' HB ' ' A' ' 101' ' ' ILE . 46.6 mt -131.83 96.48 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.061 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.2 t -95.91 106.22 18.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.665 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -142.36 172.52 12.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.121 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 122' ' ' SER . 34.8 t -63.34 142.41 58.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 121' ' ' SER . 11.0 p -35.88 -46.07 0.44 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.818 -179.744 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.21 -53.8 26.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -51.88 -53.02 45.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.882 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.66 HG23 HD11 ' A' ' 101' ' ' ILE . 79.2 m -42.91 -60.83 1.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -43.13 -49.55 6.46 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -57.32 -68.49 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.36 . . . . 0.0 110.904 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.46 ' C ' HD13 ' A' ' 128' ' ' LEU . 2.9 tm? -44.35 -50.54 9.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.433 ' O ' ' N ' ' A' ' 131' ' ' ALA . 55.1 t80 -60.09 -71.68 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -40.38 -26.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.135 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.923 ' HB1' HD22 ' A' ' 56' ' ' LEU . . . -75.31 -64.02 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 1.091 HD21 HD21 ' A' ' 71' ' ' LEU . 5.5 mp -51.93 -58.82 5.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.487 ' CE1' HD11 ' A' ' 137' ' ' LEU . 22.3 t-80 -33.34 -64.84 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.852 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.478 ' O ' ' N ' ' A' ' 136' ' ' ILE . 3.3 t-80 -49.7 -60.46 2.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.892 ' HD3' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -35.97 -31.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.898 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.581 HD11 HD22 ' A' ' 87' ' ' LEU . 3.1 mm -77.78 -53.76 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.487 HD11 ' CE1' ' A' ' 133' ' ' HIS . 22.1 mt -44.0 -26.86 0.32 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -74.25 -42.21 60.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.097 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.459 HD23 ' N ' ' A' ' 139' ' ' LEU . 3.7 mt -74.5 -58.92 2.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.792 ' HA ' ' HB1' ' A' ' 89' ' ' ALA . 6.0 ptm180 -47.79 -19.77 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 2.9 m -83.08 -40.32 20.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.873 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 143' ' ' VAL . 6.8 mtm105 -56.14 -53.98 50.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 140' ' ' ARG . 8.3 m -33.98 -40.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -103.87 51.73 0.78 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 142' ' ' ARG . 31.2 m 57.78 37.9 27.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.854 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -61.2 -179.46 2.88 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.535 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.66 179.53 3.58 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.726 2.284 . . . . 0.0 112.413 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 58.0 p -166.96 122.22 1.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 97.3 p -169.38 147.29 3.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.444 179.942 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.3 p -144.19 173.72 11.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.834 0.35 . . . . 0.0 110.83 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.3 m -115.64 131.57 56.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.15 132.9 0.1 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.535 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t -167.16 143.46 4.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.933 0.397 . . . . 0.0 110.85 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.8 p -39.15 105.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.94 129.77 1.11 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.463 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 68.1 p -110.42 142.56 41.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.765 0.317 . . . . 0.0 111.163 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -113.05 109.57 19.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.2 40.62 1.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -118.53 129.64 55.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 25.8 p -162.85 132.2 4.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.7 mt -118.2 175.31 5.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.944 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.5 mp -86.28 174.27 9.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 45.6 39.61 5.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -88.99 158.54 17.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.477 ' O ' ' N ' ' A' ' 19' ' ' VAL . 2.0 t -90.81 -43.92 14.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 17' ' ' VAL . 16.4 pt-20 -34.74 -33.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.505 HG23 ' N ' ' A' ' 20' ' ' ILE . 27.5 m -86.34 -45.84 16.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.681 HG22 ' H ' ' A' ' 22' ' ' GLY . 78.9 mt -52.26 138.07 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.9 m -40.57 -24.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.681 ' H ' HG22 ' A' ' 20' ' ' ILE . . . 91.01 43.05 4.84 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.506 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -49.89 -50.39 46.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.89 0.376 . . . . 0.0 110.918 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.497 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 13.5 pt-20 -125.88 -42.79 1.88 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.497 ' N ' ' HG3' ' A' ' 24' ' ' GLU . . . 43.19 36.42 1.0 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -156.28 154.76 31.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.0 m -134.45 97.41 3.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -75.63 128.91 36.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.0 m -103.6 -34.38 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.434 ' C ' HD12 ' A' ' 30' ' ' LEU . 3.1 pp -151.81 137.65 18.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.9 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.686 ' HG2' HD11 ' A' ' 53' ' ' LEU . 14.2 tt0 -138.29 123.59 19.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.17 141.44 26.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -63.31 129.37 39.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.939 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.967 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.5 t -149.8 174.33 12.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.602 ' HD2' ' CZ ' ' A' ' 37' ' ' PHE . 15.3 ttmt -116.76 151.83 35.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.0 tp -123.9 135.2 53.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.602 ' CZ ' ' HD2' ' A' ' 35' ' ' LYS . 73.7 m-85 -124.04 146.82 48.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 38' ' ' VAL . 5.5 p -128.51 117.11 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.539 ' CZ ' ' HA ' ' A' ' 44' ' ' GLN . 1.7 t80 -79.46 124.97 28.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 42' ' ' THR . 27.8 t0 -105.25 105.24 15.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.9 ptpp? -39.06 -29.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 40' ' ' ASP . 58.4 m -58.72 -48.68 80.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.203 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.8 t -90.81 -24.51 20.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.83 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.539 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 6.9 mm100 65.84 37.02 5.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.9 t -153.32 171.73 18.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.55 ' CZ2' HD13 ' A' ' 117' ' ' LEU . 72.4 m95 -78.32 120.6 23.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 69.3 t -121.3 142.59 36.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 49' ' ' ARG . 4.1 tp10 -60.46 147.99 39.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.821 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.403 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -132.42 -45.59 0.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.896 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -177.41 129.66 1.49 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.508 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.12 139.72 52.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.88 0.371 . . . . 0.0 110.935 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -178.61 -100.83 0.14 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.526 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.686 HD11 ' HG2' ' A' ' 31' ' ' GLN . 19.8 tp -138.94 121.21 15.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.837 0.351 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.804 HD12 ' O ' ' A' ' 72' ' ' VAL . 8.9 tp -96.97 142.19 29.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.66 ' O ' HG22 ' A' ' 72' ' ' VAL . 10.2 ptt85 -150.86 148.25 28.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.437 HD13 ' HD3' ' A' ' 135' ' ' ARG . 5.5 tp -106.36 112.83 26.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.944 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -98.75 142.75 29.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -107.01 129.96 54.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.506 ' O ' ' N ' ' A' ' 68' ' ' GLN . 20.9 ptt? -132.84 153.8 50.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.6 151.6 30.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.415 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.6 OUTLIER -88.58 154.64 20.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.823 -179.762 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.11 -51.6 3.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.143 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.86 -6.82 59.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.453 ' HB3' ' NE ' ' A' ' 142' ' ' ARG . 5.5 m-20 -122.53 -18.78 6.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.415 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 53.9 14.63 4.2 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.4 t -102.49 173.89 6.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.806 0.336 . . . . 0.0 111.141 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 67' ' ' LEU . 2.2 tm? -67.18 100.49 0.79 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.959 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.506 ' N ' ' O ' ' A' ' 59' ' ' MET . 5.4 mm-40 -88.5 168.92 12.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.7 m -147.41 167.34 24.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -160.94 162.75 32.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.951 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.457 HD21 HH22 ' A' ' 135' ' ' ARG . 11.3 mt -95.35 157.07 16.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.938 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.804 ' O ' HD12 ' A' ' 54' ' ' LEU . 0.9 OUTLIER -155.03 153.96 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 179.861 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.671 ' O ' HD13 ' A' ' 82' ' ' ILE . 8.1 tpt -155.15 107.29 2.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.872 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 58.7 mtm180 -100.31 125.02 46.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.564 HG23 HD12 ' A' ' 82' ' ' ILE . 9.1 p -69.71 145.59 52.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.089 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 77' ' ' GLY . 9.0 pt20 -69.25 -36.83 77.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.961 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 76' ' ' GLN . . . -37.67 -74.67 0.1 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.465 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 79' ' ' LEU . 7.0 t -132.44 48.49 2.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.864 0.364 . . . . 0.0 110.847 -179.729 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 78' ' ' SER . 4.2 mm? 35.14 47.5 0.29 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -94.95 157.65 15.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.758 HD13 ' N ' ' A' ' 82' ' ' ILE . 0.3 OUTLIER -102.02 141.37 34.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.758 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -134.88 -30.14 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.779 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.602 ' O ' HD11 ' A' ' 81' ' ' LEU . 7.6 tp -120.04 125.69 48.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -158.42 105.07 1.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.472 HG21 ' HB1' ' A' ' 105' ' ' ALA . 6.9 t -140.9 154.99 46.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.472 ' HG3' ' CE ' ' A' ' 59' ' ' MET . 33.8 ttmt -98.35 124.12 42.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.925 HD21 ' NH2' ' A' ' 135' ' ' ARG . 8.9 mt -57.0 143.02 39.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.577 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 48.2 p90 -125.81 157.05 38.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.24 -46.59 54.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.577 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 38.8 mm-40 -82.51 31.42 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.864 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.651 ' CE ' HD23 ' A' ' 87' ' ' LEU . 1.0 OUTLIER -69.6 141.18 53.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.827 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -110.0 125.45 52.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.845 HD12 HD23 ' A' ' 132' ' ' LEU . 1.1 tt -152.02 130.55 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -139.08 138.43 37.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.1 tptm -88.43 98.2 11.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.65 -42.15 87.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.1 t -152.66 175.91 12.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -77.89 1.41 20.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -126.45 -25.91 3.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 85.5 p -112.94 151.62 30.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.82 ' HB ' HD12 ' A' ' 118' ' ' ILE . 9.2 mt -140.51 136.69 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.077 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.61 ' CD2' HD12 ' A' ' 117' ' ' LEU . 11.5 m170 -110.1 117.97 35.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.493 ' O ' HG23 ' A' ' 115' ' ' VAL . 3.2 pt -136.55 153.51 30.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.09 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 14.8 p -102.8 119.62 39.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.472 ' HB1' HG21 ' A' ' 85' ' ' THR . . . -138.2 161.29 37.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.798 ' HG3' HG22 ' A' ' 113' ' ' VAL . 24.5 mtt -86.24 179.22 6.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.489 ' OD1' ' CD ' ' A' ' 114' ' ' LYS . 0.8 OUTLIER -117.7 166.83 11.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 72.3 p -91.86 -41.71 10.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -101.26 -45.23 5.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -64.17 -35.97 82.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.826 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 63.11 41.19 8.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.998 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -135.29 148.99 19.82 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.539 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.798 HG22 ' HG3' ' A' ' 106' ' ' MET . 50.7 t -83.25 94.07 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.93 0.395 . . . . 0.0 111.136 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.583 ' HG3' ' CE1' ' A' ' 116' ' ' PHE . 1.4 ptpm? -110.74 154.18 24.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 103' ' ' ILE . 7.3 p -93.25 118.39 38.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.583 ' CE1' ' HG3' ' A' ' 114' ' ' LYS . 82.9 m-85 -98.2 177.8 5.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.61 HD12 ' CD2' ' A' ' 102' ' ' HIS . 3.9 tp -123.83 157.17 34.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.964 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.82 HD12 ' HB ' ' A' ' 101' ' ' ILE . 4.9 mt -134.25 98.17 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 23.1 t -98.14 123.66 42.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.967 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -157.61 177.76 11.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.152 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 48.1 m -63.78 147.07 52.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.914 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 52.3 p -40.54 -46.47 2.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 46.2 tptt -67.45 -68.97 0.34 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -42.94 -66.84 0.33 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.845 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.721 ' OG1' ' HB3' ' A' ' 120' ' ' ALA . 97.7 m -40.05 -41.36 1.22 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.215 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -61.25 -43.46 99.35 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.458 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -54.81 -57.92 9.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.836 0.351 . . . . 0.0 110.923 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.718 ' CD2' HG21 ' A' ' 118' ' ' ILE . 30.9 tp -49.71 -67.66 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -39.61 -67.28 0.23 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -38.26 -35.51 0.17 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.03 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 128' ' ' LEU . . . -76.09 -47.12 25.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.845 HD23 HD12 ' A' ' 93' ' ' ILE . 10.6 mp -44.65 -69.13 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.469 ' C ' ' O ' ' A' ' 132' ' ' LEU . 8.0 t-160 -32.97 -60.91 0.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.818 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.471 ' HA ' HD12 ' A' ' 137' ' ' LEU . 8.4 t-80 -44.89 -63.66 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.925 ' NH2' HD21 ' A' ' 87' ' ' LEU . 50.6 mtm180 -36.11 -40.91 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.922 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.538 ' N ' HD13 ' A' ' 136' ' ' ILE . 1.8 mm -72.28 -54.82 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.207 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 134' ' ' HIS . 70.9 mt -36.16 -45.1 0.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -57.99 -42.64 85.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 136' ' ' ILE . 1.7 mt -72.44 -51.51 19.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 140' ' ' ARG . 1.1 mtp-105 -60.6 -32.11 71.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 23.2 t -62.53 -20.86 65.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ARG . . . . . 0.453 ' NE ' ' HB3' ' A' ' 64' ' ' ASP . 8.1 mtp-105 -77.16 -40.7 44.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 16.5 m -81.66 -39.5 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.174 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -144.93 113.66 6.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 74.8 m -100.4 92.55 5.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -97.58 -168.0 32.49 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 148' ' ' SER . 54.5 Cg_endo -69.79 -1.91 9.29 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.618 2.212 . . . . 0.0 112.363 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 147' ' ' PRO . 16.8 m -34.47 132.61 0.28 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 41.1 t -73.9 130.5 40.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.834 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.528 179.921 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -110.53 112.04 23.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.8 0.333 . . . . 0.0 110.852 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.2 p -108.85 111.85 23.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.902 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.09 -51.68 0.2 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.529 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 p -56.78 150.47 16.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.878 0.371 . . . . 0.0 110.903 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.5 t -114.87 154.66 28.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.847 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.79 -143.71 15.21 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.444 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.5 t -174.51 156.88 2.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.753 0.311 . . . . 0.0 111.086 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.56 -175.58 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.04 112.49 10.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.12 162.25 28.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 33.1 m -45.81 115.71 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.522 HD11 ' HD2' ' A' ' 16' ' ' LYS . 0.3 OUTLIER -103.53 174.72 5.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 16' ' ' LYS . 1.2 tp -83.8 -56.89 3.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -62.39 75.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.694 ' O ' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -131.58 151.12 51.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.927 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.451 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 17.0 m -66.18 -34.95 73.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.154 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -46.39 -36.51 6.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.799 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.694 HG22 ' O ' ' A' ' 16' ' ' LYS . 23.7 m -87.62 -32.47 6.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.123 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 42.2 mt -64.72 144.23 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.0 m -60.42 152.13 26.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.116 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -48.33 -31.17 8.64 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.481 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 41.53 30.9 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.765 0.317 . . . . 0.0 110.867 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -90.86 -27.36 18.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -93.94 41.69 1.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.106 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -77.8 176.61 8.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.1 m -98.04 144.78 27.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -138.53 154.79 48.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.945 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.568 HG21 HD23 ' A' ' 56' ' ' LEU . 2.9 m -120.93 -39.65 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.456 ' O ' HD12 ' A' ' 30' ' ' LEU . 3.4 pp -152.75 131.56 12.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.85 ' CG ' HD11 ' A' ' 53' ' ' LEU . 22.0 tt0 -128.36 139.32 52.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.542 ' CE ' HD23 ' A' ' 128' ' ' LEU . 1.0 OUTLIER -161.32 149.26 15.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.855 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -77.69 118.86 20.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.969 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.8 t -139.65 174.91 10.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 27.5 mtpt -113.87 153.44 29.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.6 tp -123.13 117.89 26.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -112.55 123.58 50.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 38' ' ' VAL . 7.0 p -105.37 129.13 58.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.546 ' CZ ' ' HA ' ' A' ' 44' ' ' GLN . 18.5 t80 -79.37 111.3 15.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 42' ' ' THR . 31.6 t0 -95.78 106.42 18.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.6 tttt -41.9 -23.93 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 40' ' ' ASP . 36.5 m -61.76 -47.05 86.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.111 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.4 t -96.37 -23.55 16.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.546 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 7.2 mm100 69.67 31.39 3.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.982 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.3 t -153.21 -177.22 6.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.559 ' CZ2' HD13 ' A' ' 117' ' ' LEU . 78.2 m95 -75.67 123.48 25.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 56.5 t -118.94 125.21 74.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.131 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -49.66 108.37 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.66 -32.9 13.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 163.64 132.73 1.38 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.541 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 29.8 ptt180 -121.31 137.01 54.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.864 0.364 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.415 ' N ' ' CE ' ' A' ' 73' ' ' MET . . . -176.28 -122.95 0.74 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.85 HD11 ' CG ' ' A' ' 31' ' ' GLN . 33.0 tp -114.5 126.51 55.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.827 0.346 . . . . 0.0 110.925 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.704 ' CD2' HD22 ' A' ' 128' ' ' LEU . 7.0 tp -112.12 134.94 53.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.966 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.7 ptt-85 -151.27 150.26 30.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.843 HD22 ' HB1' ' A' ' 131' ' ' ALA . 5.4 tp -97.89 108.05 20.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.2 p-10 -92.22 145.72 24.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -101.51 138.0 39.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.832 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.5 ' O ' ' N ' ' A' ' 68' ' ' GLN . 24.2 ptt? -151.4 142.78 23.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.24 166.9 20.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.075 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.522 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 1.1 t -87.67 166.73 14.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.815 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.3 t -99.93 -45.59 5.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.129 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -95.18 -11.31 28.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 66' ' ' THR . 25.3 t0 -123.23 -8.19 8.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.522 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 44.03 20.22 0.15 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.502 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 61' ' ' SER . 0.7 OUTLIER -94.12 174.95 6.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 111.088 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.411 HD22 ' HA ' ' A' ' 67' ' ' LEU . 1.7 tm? -65.74 99.2 0.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 59' ' ' MET . 5.9 mm100 -99.54 171.31 8.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 72.9 m -148.45 158.97 44.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.448 ' HB3' ' CE ' ' A' ' 59' ' ' MET . 1.8 ptp180 -146.6 155.97 42.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.685 HD21 HD21 ' A' ' 132' ' ' LEU . 12.0 mt -96.21 114.61 26.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.558 HG13 HD21 ' A' ' 81' ' ' LEU . 2.1 t -114.46 147.66 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.739 ' SD ' HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -145.28 115.15 7.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 29.4 mtt180 -105.17 131.23 52.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.67 HG23 HD12 ' A' ' 82' ' ' ILE . 1.4 p -73.07 160.61 31.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.68 30.33 1.37 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.936 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -108.36 -78.02 1.05 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.558 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 39.7 p -128.51 37.76 4.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.861 0.363 . . . . 0.0 110.838 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.8 mt 53.38 42.91 31.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -93.29 140.67 29.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.565 HD13 ' N ' ' A' ' 82' ' ' ILE . 0.1 OUTLIER -90.59 132.43 35.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.739 HD11 ' SD ' ' A' ' 73' ' ' MET . 0.2 OUTLIER -121.65 -24.13 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.061 179.878 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.571 HD23 ' HB2' ' A' ' 73' ' ' MET . 7.2 tp -129.18 107.02 9.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.987 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -135.06 98.65 4.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.423 HG21 ' HB1' ' A' ' 105' ' ' ALA . 7.6 t -139.38 152.96 47.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.458 ' HD3' ' NE2' ' A' ' 68' ' ' GLN . 19.1 ttmt -100.42 123.02 44.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.939 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.776 HD23 ' CE ' ' A' ' 91' ' ' MET . 8.2 mt -56.36 149.53 16.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.573 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 48.1 p90 -134.9 153.7 51.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -45.34 -48.96 13.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.074 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.573 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 8.4 mp0 -82.22 29.65 0.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.959 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.776 ' CE ' HD23 ' A' ' 87' ' ' LEU . 3.2 tpp -70.69 135.08 48.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -95.4 115.84 27.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.0 tt -150.95 116.39 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.088 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -145.91 117.45 8.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.783 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.559 ' CD ' ' CD2' ' A' ' 129' ' ' TYR . 3.9 tttm -58.34 143.44 44.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.823 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -118.6 -18.24 9.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.151 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 6.9 t -162.18 150.8 15.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.446 ' CD ' ' HB2' ' A' ' 122' ' ' SER . 3.2 tt0 -55.26 -18.32 6.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -124.88 26.84 6.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.86 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.435 ' C ' HG13 ' A' ' 101' ' ' ILE . 0.8 OUTLIER -159.89 152.52 21.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.557 HD11 HG23 ' A' ' 125' ' ' THR . 7.0 mt -144.08 151.05 16.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.136 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.423 ' CE1' ' CD1' ' A' ' 117' ' ' LEU . 1.3 m80 -115.49 101.47 8.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.482 HD13 HD13 ' A' ' 71' ' ' LEU . 1.1 pp -123.66 148.06 27.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 64.8 p -102.95 131.15 50.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.165 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.423 ' HB1' HG21 ' A' ' 85' ' ' THR . . . -138.37 168.74 19.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.13 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 28.4 mtt -97.69 144.58 27.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -77.12 158.87 30.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 80.7 p -79.83 -44.28 20.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -97.07 -47.63 5.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -67.13 -18.48 65.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 46.87 32.09 1.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -121.72 159.51 16.29 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.426 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 21.6 t -89.31 137.09 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.92 0.391 . . . . 0.0 111.17 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -143.91 174.43 10.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 41.9 t -93.75 104.93 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -96.84 150.95 20.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.559 HD13 ' CZ2' ' A' ' 46' ' ' TRP . 4.9 tp -117.95 154.79 31.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.646 HG22 ' SG ' ' A' ' 34' ' ' CYS . 6.5 mt -133.42 101.7 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.6 t -90.52 102.46 15.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.822 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.969 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -131.9 160.33 36.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.118 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.9 m -48.91 158.89 0.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.446 ' HB2' ' CD ' ' A' ' 98' ' ' GLU . 34.3 p -46.12 -39.79 9.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -83.63 -59.49 2.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.421 ' OD1' ' CB ' ' A' ' 32' ' ' MET . 2.6 m-20 -39.71 -45.63 1.74 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.557 HG23 HD11 ' A' ' 101' ' ' ILE . 90.8 m -57.52 -53.8 54.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -58.98 -26.92 61.51 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.478 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -67.46 -67.56 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.825 0.345 . . . . 0.0 110.944 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.803 ' C ' HD12 ' A' ' 128' ' ' LEU . 0.4 OUTLIER -59.54 -44.48 93.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.662 ' N ' HD12 ' A' ' 128' ' ' LEU . 11.1 t80 -55.23 -46.8 75.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.72 -28.73 69.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.118 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.843 ' HB1' HD22 ' A' ' 56' ' ' LEU . . . -74.5 -65.63 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.087 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.685 HD21 HD21 ' A' ' 71' ' ' LEU . 5.6 mp -38.41 -66.0 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.452 ' C ' ' O ' ' A' ' 132' ' ' LEU . 7.0 t-80 -33.95 -58.4 0.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.533 ' CE1' HH21 ' A' ' 135' ' ' ARG . 2.9 t-80 -52.68 -54.98 25.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.746 ' HD3' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -42.64 -22.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 -179.89 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.512 HD12 ' O ' ' A' ' 132' ' ' LEU . 3.7 mp -95.26 -49.4 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.458 ' HA ' ' CG ' ' A' ' 140' ' ' ARG . 25.7 mt -47.4 -29.32 2.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -73.7 -39.78 64.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.026 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.458 HD23 ' N ' ' A' ' 139' ' ' LEU . 1.3 mt -73.44 -54.4 8.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.458 ' CG ' ' HA ' ' A' ' 137' ' ' LEU . 5.3 ptm180 -54.54 -17.95 3.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.1 m -77.84 -31.48 51.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 16.5 mtt-85 -76.66 -56.76 4.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.524 HG23 ' N ' ' A' ' 144' ' ' GLU . 30.5 m -50.9 -47.72 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.062 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' GLU . . . . . 0.524 ' N ' HG23 ' A' ' 143' ' ' VAL . 45.2 mt-10 -147.09 107.53 4.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 68.2 m -61.18 98.15 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.852 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -93.9 176.9 36.61 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.489 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -45.9 1.42 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.636 2.224 . . . . 0.0 112.326 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 16.6 m -46.99 115.45 1.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.805 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 51.4 m -145.37 139.17 26.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.429 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 t -88.19 109.36 19.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.863 0.363 . . . . 0.0 110.85 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.6 m -108.52 84.97 2.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.2 -145.54 16.8 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.48 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -46.23 130.4 10.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.358 . . . . 0.0 110.881 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.9 p -160.37 146.37 15.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.62 122.13 5.57 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.444 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.1 t -82.05 151.12 27.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.69 0.281 . . . . 0.0 111.245 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -124.29 91.42 3.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.084 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.19 159.24 20.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.6 mttt 58.05 44.6 19.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.8 p -146.73 133.55 20.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.9 mp -62.23 152.89 32.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.956 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.67 -59.43 2.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.954 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -69.95 70.81 0.36 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.464 ' O ' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -124.97 149.34 47.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.901 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.583 ' HA ' HD12 ' A' ' 20' ' ' ILE . 3.9 m -69.48 -30.6 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -48.06 -37.28 14.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 16' ' ' LYS . 14.2 m -88.77 -27.46 5.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.134 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.583 HD12 ' HA ' ' A' ' 17' ' ' VAL . 83.2 mt -68.44 158.61 5.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.18 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.513 ' N ' HG22 ' A' ' 20' ' ' ILE . 0.8 OUTLIER -43.45 160.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -79.47 52.47 4.12 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.547 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -43.33 -45.26 5.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.826 0.346 . . . . 0.0 110.911 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -90.08 -30.2 17.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.877 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.54 35.56 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.046 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -80.35 161.39 25.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.7 t -124.75 146.24 49.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -116.25 114.77 24.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.567 HG11 HD23 ' A' ' 56' ' ' LEU . 3.9 p -91.0 -38.1 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.126 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.45 ' C ' HD12 ' A' ' 30' ' ' LEU . 1.3 pp -160.75 132.94 6.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 1.083 ' CD ' HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -134.2 148.57 50.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.7 ptm -166.76 145.94 5.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -69.28 123.88 22.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.61 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 2.3 t -142.64 173.67 11.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -115.01 159.05 21.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.636 HD23 ' CG ' ' A' ' 49' ' ' ARG . 14.2 tp -128.43 128.96 45.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.468 ' HD2' HD23 ' A' ' 117' ' ' LEU . 17.8 m-85 -125.9 124.25 40.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.463 ' CG2' ' HD3' ' A' ' 114' ' ' LYS . 7.3 p -109.25 139.45 32.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.161 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -89.48 137.95 31.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 42' ' ' THR . 5.5 t70 -127.03 102.11 6.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.808 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 40' ' ' ASP . 1.1 ttmm -38.07 -27.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 40' ' ' ASP . 31.9 m -61.3 -47.68 84.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.0 t -94.65 -23.35 17.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 66.4 36.83 4.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.0 t -152.6 179.05 8.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 74.5 m95 -82.17 98.33 8.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.456 ' O ' HG12 ' A' ' 38' ' ' VAL . 70.5 t -87.25 118.42 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -49.9 121.12 4.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.636 ' CG ' HD23 ' A' ' 36' ' ' LEU . 14.2 tpp180 -93.63 -45.26 7.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 166.73 119.29 0.47 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.471 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.8 145.06 34.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 0.0 110.883 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.529 ' N ' ' CE ' ' A' ' 73' ' ' MET . . . -179.39 -118.38 0.58 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.503 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.083 HD11 ' CD ' ' A' ' 31' ' ' GLN . 51.9 tp -114.2 115.9 28.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 0.0 110.903 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.526 HD12 ' O ' ' A' ' 72' ' ' VAL . 5.4 tp -105.26 133.96 49.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.483 ' HB3' ' CG ' ' A' ' 31' ' ' GLN . 2.1 ptm180 -151.25 152.75 33.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.567 HD23 HG11 ' A' ' 29' ' ' VAL . 3.0 tp -95.68 112.82 24.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -95.65 129.55 42.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.26 107.01 19.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.492 ' O ' ' N ' ' A' ' 68' ' ' GLN . 20.7 ptt? -110.11 156.01 21.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -81.43 157.14 25.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.088 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.425 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 1.0 OUTLIER -91.01 152.57 20.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.888 -179.791 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.29 -47.65 5.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -88.02 -8.06 56.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.909 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -122.39 -18.92 6.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.425 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 57.12 10.47 5.18 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.495 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.2 t -99.6 174.63 6.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.754 0.311 . . . . 0.0 111.189 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -66.33 104.24 1.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.492 ' N ' ' O ' ' A' ' 59' ' ' MET . 5.4 mm-40 -95.71 167.16 11.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.596 ' HB2' HD12 ' A' ' 87' ' ' LEU . 67.1 m -131.27 163.42 27.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -152.23 158.45 42.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.442 HD21 HH22 ' A' ' 135' ' ' ARG . 9.4 mt -106.09 112.46 25.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.526 ' O ' HD12 ' A' ' 54' ' ' LEU . 2.2 t -117.22 146.87 21.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.083 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.529 ' CE ' ' N ' ' A' ' 52' ' ' GLY . 10.6 tpt -153.15 108.95 3.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -103.09 132.32 49.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.479 HG23 HD12 ' A' ' 82' ' ' ILE . 21.1 p -72.26 149.92 44.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.62 -35.27 72.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.945 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -37.86 -91.38 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.469 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 79' ' ' LEU . 15.2 m -113.69 42.95 1.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 0.0 110.877 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 78' ' ' SER . 14.1 mt 36.96 50.22 0.86 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 41.7 ttt85 -101.09 148.27 25.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.888 HD13 ' N ' ' A' ' 82' ' ' ILE . 0.6 OUTLIER -91.79 141.03 29.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.888 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -134.96 -31.12 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.914 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.686 ' O ' HD11 ' A' ' 81' ' ' LEU . 8.8 tp -116.89 135.36 53.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.444 ' C ' ' OD1' ' A' ' 84' ' ' ASN . 8.9 t-20 -169.29 105.1 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 4.3 t -146.94 144.15 29.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.184 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.427 ' CD ' ' O ' ' A' ' 87' ' ' LEU . 0.6 OUTLIER -86.4 128.47 34.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.989 HD11 ' CZ ' ' A' ' 135' ' ' ARG . 20.5 mt -57.68 148.28 25.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.581 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 47.7 p90 -131.8 152.41 50.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.413 ' C ' ' H ' ' A' ' 91' ' ' MET . . . -46.21 -49.17 17.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.103 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.581 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 16.6 mp0 -78.72 26.91 0.23 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.56 ' CE ' HD23 ' A' ' 87' ' ' LEU . 0.7 OUTLIER -66.55 140.59 57.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -110.76 124.78 52.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.859 HD12 HD23 ' A' ' 132' ' ' LEU . 1.4 tt -154.64 127.72 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.043 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -136.35 141.05 43.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.537 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 12.3 tptm -83.35 101.21 11.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.93 -50.54 64.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.5 t -146.64 -178.68 6.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -78.71 2.96 17.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.852 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.6 mttt -132.7 -33.13 1.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.9 m -105.83 152.55 23.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.665 ' CD1' HD11 ' A' ' 128' ' ' LEU . 43.2 mt -143.81 146.03 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.706 ' CE1' ' CD1' ' A' ' 117' ' ' LEU . 3.0 m80 -115.83 114.99 25.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.604 HG22 HG13 ' A' ' 93' ' ' ILE . 1.7 pp -130.52 149.38 33.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 13.7 p -96.82 121.48 38.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -139.48 154.62 47.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.835 ' HG3' HG22 ' A' ' 113' ' ' VAL . 6.8 mtt -83.99 170.33 14.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -109.57 166.0 11.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 50.5 p -89.81 -39.56 13.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.084 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -100.09 -54.46 2.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 111' ' ' GLN . 4.6 t70 -64.86 -8.79 16.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.8 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 110' ' ' ASP . 16.1 mt-30 35.63 46.3 0.3 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -130.62 155.13 21.01 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.515 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.835 HG22 ' HG3' ' A' ' 106' ' ' MET . 54.7 t -90.52 98.73 8.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.844 0.354 . . . . 0.0 111.153 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.577 ' HG3' ' CE1' ' A' ' 116' ' ' PHE . 9.4 ptpt -116.66 148.11 41.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.961 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.431 ' O ' HG13 ' A' ' 115' ' ' VAL . 4.4 p -88.03 117.12 31.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.577 ' CE1' ' HG3' ' A' ' 114' ' ' LYS . 87.4 m-85 -96.45 177.52 5.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.706 ' CD1' ' CE1' ' A' ' 102' ' ' HIS . 3.7 tp -122.6 156.65 33.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.928 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.626 HG21 HD22 ' A' ' 128' ' ' LEU . 10.2 mt -134.76 102.22 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 45.4 t -99.58 113.48 25.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.61 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -143.47 172.65 12.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.058 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 122' ' ' SER . 3.4 m -60.68 147.28 42.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 121' ' ' SER . 13.3 p -33.8 -54.33 0.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.2 tmtm? -65.47 -62.93 1.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -40.19 -60.93 0.96 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.544 HG23 HD11 ' A' ' 101' ' ' ILE . 83.9 m -44.99 -37.25 3.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.076 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -69.87 -36.87 74.56 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -62.44 -60.7 3.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.851 0.358 . . . . 0.0 110.914 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.763 ' O ' HD13 ' A' ' 132' ' ' LEU . 1.4 pp -54.36 -42.02 69.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.922 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.537 ' CZ ' ' HB2' ' A' ' 95' ' ' LYS . 25.0 t80 -61.08 -66.54 0.52 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -40.2 -33.66 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.129 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -75.66 -54.05 7.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.121 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.859 HD23 HD12 ' A' ' 93' ' ' ILE . 9.0 mp -39.7 -68.97 0.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.437 ' C ' ' O ' ' A' ' 132' ' ' LEU . 10.0 t-160 -35.69 -66.12 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 135' ' ' ARG . 4.9 t-80 -38.5 -63.54 0.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.989 ' CZ ' HD11 ' A' ' 87' ' ' LEU . 50.8 mtm180 -36.94 -44.75 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.502 ' N ' HD13 ' A' ' 136' ' ' ILE . 2.8 mm -62.77 -51.23 74.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.433 ' HA ' ' CG ' ' A' ' 140' ' ' ARG . 20.1 mt -47.69 -39.36 17.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.951 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.63 -27.89 69.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.038 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.459 HD11 ' CB ' ' A' ' 87' ' ' LEU . 5.1 mt -82.59 -55.57 4.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.848 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 140' ' ' ARG . 0.0 OUTLIER -60.37 -15.3 24.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.847 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 42.3 t -82.23 -18.03 43.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ARG . . . . . 0.404 ' CB ' HH11 ' A' ' 142' ' ' ARG . 4.2 mtm105 -82.08 -52.35 7.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.453 HG23 ' N ' ' A' ' 144' ' ' GLU . 15.6 m -55.25 -46.5 78.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' GLU . . . . . 0.453 ' N ' HG23 ' A' ' 143' ' ' VAL . 16.1 pt-20 -79.55 -11.74 59.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 23.2 t -44.99 -44.8 10.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -64.84 154.0 49.59 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.555 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 148' ' ' SER . 53.5 Cg_endo -69.76 1.79 4.11 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.644 2.229 . . . . 0.0 112.358 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 147' ' ' PRO . 22.7 t -34.84 108.63 0.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 17.4 t -165.95 150.12 8.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.798 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.465 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.451 -0.259 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t -56.36 135.7 53.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.899 0.38 . . . . 0.0 110.824 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.1 m -122.64 -46.18 2.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -54.48 113.45 3.44 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.481 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.4 m -100.62 130.83 46.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.852 0.358 . . . . 0.0 110.888 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 t -140.05 162.83 34.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.23 60.62 0.42 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.489 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.1 p -60.11 -53.05 62.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.35 . . . . 0.0 111.114 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -172.48 156.98 3.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.109 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.57 156.97 34.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt -112.23 163.99 13.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.5 m -65.2 80.97 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.5 mt -93.15 156.21 16.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.933 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.1 mp -96.46 -33.67 11.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -82.16 41.6 0.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.492 ' O ' HG22 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -90.92 148.58 22.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.589 ' HA ' HD12 ' A' ' 20' ' ' ILE . 12.3 m -73.1 -30.6 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.172 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -50.63 -32.43 18.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 16' ' ' LYS . 4.7 m -88.2 -37.68 10.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.589 HD12 ' HA ' ' A' ' 17' ' ' VAL . 82.1 mt -47.45 143.02 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.211 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.714 HG22 ' H ' ' A' ' 22' ' ' GLY . 1.4 m -92.87 176.59 6.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.185 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.714 ' H ' HG22 ' A' ' 21' ' ' THR . . . 75.25 -42.34 1.4 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 22' ' ' GLY . 10.2 mt-10 -35.29 -50.09 0.53 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.806 0.336 . . . . 0.0 110.883 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -107.11 -26.07 11.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.94 43.0 0.82 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.071 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -124.25 156.78 36.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.432 ' CB ' ' OD1' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -99.35 155.85 17.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.839 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -114.56 84.63 2.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.797 HG11 HD23 ' A' ' 56' ' ' LEU . 74.2 t -45.41 -62.5 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.177 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.435 ' O ' HD12 ' A' ' 30' ' ' LEU . 4.2 pp -153.5 138.53 17.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.962 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.651 ' CG ' HD11 ' A' ' 53' ' ' LEU . 19.8 tt0 -123.3 123.26 40.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.641 ' HE1' ' CB ' ' A' ' 120' ' ' ALA . 0.1 OUTLIER -156.2 128.39 7.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -55.37 135.6 50.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.897 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.6 t -151.21 174.02 13.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -114.49 121.42 43.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.503 HD22 ' HG2' ' A' ' 73' ' ' MET . 10.7 tp -103.5 115.59 30.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -110.43 163.38 13.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.629 HG22 ' CD2' ' A' ' 116' ' ' PHE . 3.8 t -124.85 151.18 30.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.536 ' HB2' ' CZ3' ' A' ' 46' ' ' TRP . 66.7 t80 -117.05 134.99 54.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 42' ' ' THR . 53.4 t0 -121.91 95.08 4.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 40' ' ' ASP . 4.6 ptpt -33.72 -34.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 40' ' ' ASP . 58.7 m -56.68 -50.09 73.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.21 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 40' ' ' ASP . 5.1 t -87.69 -27.98 22.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 67.05 35.65 4.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.978 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 t -146.47 177.75 8.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.757 ' CZ2' HD13 ' A' ' 117' ' ' LEU . 71.6 m95 -93.83 111.62 23.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.846 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 84.9 t -102.78 126.0 57.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.187 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -52.91 127.71 24.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -112.6 -49.27 2.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 174.09 122.91 0.7 Allowed Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.454 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.89 159.05 23.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.898 0.38 . . . . 0.0 110.895 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.437 ' N ' ' CE ' ' A' ' 73' ' ' MET . . . 164.35 -106.47 0.27 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.515 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.651 HD11 ' CG ' ' A' ' 31' ' ' GLN . 27.4 tp -120.56 137.75 54.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.864 0.364 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.459 ' H ' HD12 ' A' ' 53' ' ' LEU . 6.0 tp -121.31 140.78 51.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.496 ' CZ ' HG21 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -151.5 159.4 44.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.947 HD22 ' HB1' ' A' ' 131' ' ' ALA . 10.0 tp -115.86 108.28 16.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -92.47 153.38 19.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.432 ' OD1' ' CB ' ' A' ' 27' ' ' SER . 0.6 OUTLIER -116.73 136.95 52.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.88 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.513 ' O ' ' N ' ' A' ' 68' ' ' GLN . 22.2 ptt? -150.14 147.83 28.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.08 170.75 12.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 66' ' ' THR . 0.9 OUTLIER -92.77 165.84 12.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.851 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.453 HG23 ' N ' ' A' ' 63' ' ' ASP . 3.6 t -100.22 -47.75 4.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.174 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.453 ' N ' HG23 ' A' ' 62' ' ' THR . 2.5 m-20 -91.69 -17.32 25.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 66' ' ' THR . 10.9 t0 -116.91 -6.6 11.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.833 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.508 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 42.7 20.87 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.489 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.509 ' O ' ' N ' ' A' ' 61' ' ' SER . 0.8 OUTLIER -97.14 174.86 6.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.771 0.32 . . . . 0.0 111.184 -179.882 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.599 ' C ' HD13 ' A' ' 67' ' ' LEU . 2.5 tm? -64.74 99.83 0.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.513 ' N ' ' O ' ' A' ' 59' ' ' MET . 4.7 mm100 -96.82 172.01 8.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.959 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . 1.003 ' HB2' HD12 ' A' ' 87' ' ' LEU . 8.7 m -145.53 167.09 23.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.809 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.455 ' HB3' ' HE2' ' A' ' 59' ' ' MET . 3.3 ptp180 -154.97 150.74 27.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.942 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.754 HD21 HD21 ' A' ' 132' ' ' LEU . 9.2 mt -92.66 147.22 23.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.496 HG21 ' CZ ' ' A' ' 55' ' ' ARG . 0.9 OUTLIER -146.63 152.35 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.192 179.847 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.503 ' HG2' HD22 ' A' ' 36' ' ' LEU . 10.8 tpt -154.55 113.31 3.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.91 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.492 ' CG ' ' NH2' ' A' ' 55' ' ' ARG . 21.1 mtp180 -97.02 143.09 28.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.808 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.559 HG23 HD12 ' A' ' 82' ' ' ILE . 6.5 p -88.49 145.36 25.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.201 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -74.83 116.8 15.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 144.56 -72.06 0.36 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 79' ' ' LEU . 7.4 t -124.83 34.77 4.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.859 0.362 . . . . 0.0 110.81 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 78' ' ' SER . 80.9 mt 37.28 47.81 0.73 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -87.3 134.79 33.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.733 HD13 ' N ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -92.23 140.73 29.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.733 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -132.07 -28.67 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.853 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.662 ' O ' HD11 ' A' ' 81' ' ' LEU . 7.4 tp -118.68 119.76 35.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -150.9 105.0 3.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.627 HG21 ' HB1' ' A' ' 105' ' ' ALA . 12.0 t -141.4 149.69 41.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.449 ' HD3' ' NE2' ' A' ' 68' ' ' GLN . 9.1 ttmm -92.47 119.67 32.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 1.003 HD12 ' HB2' ' A' ' 69' ' ' SER . 25.5 mt -56.91 146.43 26.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.567 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 44.7 p90 -127.55 160.95 29.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.972 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.41 -44.99 69.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.127 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.567 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 71.4 mm-40 -84.63 32.11 0.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.468 ' HA ' ' NE1' ' A' ' 88' ' ' TRP . 1.5 tpp -67.41 139.19 57.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -105.98 117.68 34.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.8 tt -149.31 121.02 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.62 150.36 40.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.844 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 16.7 tptp -99.43 98.17 9.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.26 -43.27 82.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.078 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.4 t -167.83 174.81 7.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -77.09 8.26 4.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.949 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -121.58 -39.3 2.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.969 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.423 ' C ' HG13 ' A' ' 101' ' ' ILE . 73.7 p -119.51 154.72 33.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.822 HD12 HD11 ' A' ' 128' ' ' LEU . 50.8 mt -145.75 144.9 20.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.744 ' CE1' ' CD1' ' A' ' 117' ' ' LEU . 0.7 OUTLIER -114.33 132.66 56.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.859 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.63 HD13 ' CD1' ' A' ' 71' ' ' LEU . 1.5 pp -144.32 147.31 19.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.0 p -97.38 123.35 41.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.627 ' HB1' HG21 ' A' ' 85' ' ' THR . . . -142.07 159.4 42.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.102 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.805 ' HG3' HG22 ' A' ' 113' ' ' VAL . 8.9 mtt -87.53 147.47 25.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -84.22 165.44 18.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.8 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 43.2 p -90.68 -41.47 11.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.075 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -100.43 -45.14 5.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.23 -25.61 68.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 54.73 40.71 32.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -133.81 158.82 23.47 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.474 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.805 HG22 ' HG3' ' A' ' 106' ' ' MET . 46.4 t -91.8 99.23 9.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.905 0.383 . . . . 0.0 111.125 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.575 ' HG3' ' CE1' ' A' ' 116' ' ' PHE . 3.2 ptpt -115.34 161.76 18.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.407 HG13 ' O ' ' A' ' 115' ' ' VAL . 4.4 p -101.56 119.45 49.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.629 ' CD2' HG22 ' A' ' 38' ' ' VAL . 34.1 m-85 -96.94 177.76 5.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.757 HD13 ' CZ2' ' A' ' 46' ' ' TRP . 4.5 tp -125.9 144.42 50.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.469 HG21 HD22 ' A' ' 128' ' ' LEU . 19.4 mt -124.52 105.81 15.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.6 t -106.19 126.69 52.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.831 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.897 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -153.61 178.99 9.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.129 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 122' ' ' SER . 24.2 t -56.41 143.88 33.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.854 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 121' ' ' SER . 3.2 p -36.36 -41.36 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -82.28 -61.75 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.939 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -38.04 -39.07 0.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.585 ' CG2' HD11 ' A' ' 101' ' ' ILE . 36.1 m -58.58 -66.66 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -38.58 -34.65 0.27 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.492 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -65.93 -69.51 0.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.859 0.361 . . . . 0.0 110.866 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.822 HD11 HD12 ' A' ' 101' ' ' ILE . 1.7 pp -45.8 -38.49 7.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.539 ' HB2' HD13 ' A' ' 101' ' ' ILE . 38.2 t80 -64.93 -65.57 0.65 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -41.29 -38.27 1.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.947 ' HB1' HD22 ' A' ' 56' ' ' LEU . . . -63.49 -72.74 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.05 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.754 HD21 HD21 ' A' ' 71' ' ' LEU . 10.8 mp -39.4 -67.54 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -40.9 -66.74 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.812 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 55.2 t60 -43.77 -51.6 7.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.752 ' HD2' HD21 ' A' ' 56' ' ' LEU . 2.6 mmp_? -48.01 -32.72 6.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' A' ' 139' ' ' LEU . 3.6 mm -75.78 -53.89 14.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 43.0 mt -39.36 -37.92 0.49 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.98 -39.79 90.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 136' ' ' ILE . 2.6 mt -72.45 -47.64 47.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.518 ' O ' HG22 ' A' ' 143' ' ' VAL . 12.4 mtp180 -59.63 -42.41 92.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.4 m -55.3 -26.03 37.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ARG . . . . . 0.464 ' CZ ' ' HB ' ' A' ' 66' ' ' THR . 39.8 mtt-85 -69.51 -40.29 77.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.864 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 140' ' ' ARG . 17.2 m -82.63 -38.0 14.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.157 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -139.64 107.84 5.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 13.4 t -67.63 97.26 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -77.79 164.37 51.78 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.462 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -2.53 10.33 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.64 2.226 . . . . 0.0 112.343 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 83.7 p -42.62 -44.98 4.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 82.1 p -69.2 133.02 47.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.454 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -169.5 143.45 2.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.897 0.379 . . . . 0.0 110.857 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.7 p -167.73 161.32 13.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.804 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.84 -169.56 13.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.5 p -157.75 163.12 38.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.893 0.377 . . . . 0.0 110.828 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 t -112.81 165.02 12.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.67 167.99 51.82 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.511 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.1 t -157.65 145.19 18.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.746 0.308 . . . . 0.0 111.185 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.25 146.64 28.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.139 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -59.09 -46.44 88.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.87 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 10' ' ' ARG . 25.6 pttm 35.72 41.22 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 56.6 m -105.79 144.75 32.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.428 HD23 ' H ' ' A' ' 15' ' ' GLU . 2.4 tt -67.48 127.4 32.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.432 HD12 ' H ' ' A' ' 14' ' ' LEU . 7.3 mp -49.97 -53.98 22.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.932 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.428 ' H ' HD23 ' A' ' 13' ' ' LEU . 40.8 mm-40 -69.32 72.14 0.3 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.483 ' O ' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -123.02 145.01 48.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.7 m -62.78 -34.89 68.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -44.7 -37.37 3.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.829 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 16' ' ' LYS . 4.4 m -90.54 -40.5 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.413 HG22 ' N ' ' A' ' 21' ' ' THR . 52.2 mt -48.19 153.4 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.57 HG22 ' N ' ' A' ' 22' ' ' GLY . 31.9 m -62.36 163.82 8.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.57 ' N ' HG22 ' A' ' 21' ' ' THR . . . -34.91 -57.18 0.81 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.484 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' A' ' 25' ' ' ALA . 36.3 mt-10 46.64 49.86 13.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.803 0.335 . . . . 0.0 110.882 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 38.66 25.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' A' ' 23' ' ' GLU . . . -132.09 57.32 1.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -91.13 174.67 7.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.5 t -91.16 125.07 35.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.823 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -116.59 123.11 46.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.4 HG21 HD23 ' A' ' 56' ' ' LEU . 16.7 m -93.51 -27.58 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.188 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.447 ' O ' HD12 ' A' ' 30' ' ' LEU . 2.5 pp -169.35 126.97 0.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.896 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 1.1 ' CD ' HD11 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -129.94 142.75 50.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.35 139.06 5.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -61.51 129.84 43.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.429 ' SG ' HG22 ' A' ' 118' ' ' ILE . 4.8 t -148.84 172.69 14.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.601 ' HD2' ' CZ ' ' A' ' 37' ' ' PHE . 17.2 ttmt -113.9 149.43 35.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.429 HD23 ' HB3' ' A' ' 49' ' ' ARG . 10.8 tp -118.98 125.3 49.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.601 ' CZ ' ' HD2' ' A' ' 35' ' ' LYS . 76.9 m-85 -112.96 141.91 46.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.952 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.534 HG13 ' O ' ' A' ' 38' ' ' VAL . 5.1 p -126.99 122.46 60.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.202 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.534 ' CE2' ' HA ' ' A' ' 41' ' ' LYS . 66.2 t80 -62.96 137.61 58.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 42' ' ' THR . 39.6 t0 -119.88 86.12 2.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.821 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.534 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -33.37 -33.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.92 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.508 ' N ' ' O ' ' A' ' 40' ' ' ASP . 23.2 m -60.72 -49.66 76.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.133 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 40' ' ' ASP . 42.4 t -94.44 -8.54 38.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.819 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 52.5 40.98 30.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.4 m -155.92 168.65 26.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -74.38 133.45 42.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 40.5 t -127.25 140.79 48.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.079 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -60.85 114.76 3.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.812 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.429 ' HB3' HD23 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -93.58 -45.01 7.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -177.13 129.01 1.39 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -117.33 138.45 51.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.845 0.355 . . . . 0.0 110.941 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 178.24 -126.73 1.1 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.488 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.1 HD11 ' CD ' ' A' ' 31' ' ' GLN . 55.9 tp -114.86 113.51 24.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.873 0.368 . . . . 0.0 110.956 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.573 HD12 ' O ' ' A' ' 72' ' ' VAL . 3.4 tp -100.4 134.97 42.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.8 ptt180 -151.51 153.86 35.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.772 HD22 ' NE ' ' A' ' 135' ' ' ARG . 4.8 tp -98.84 111.2 23.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -93.26 139.1 31.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -100.67 124.47 46.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.82 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.499 ' O ' ' N ' ' A' ' 68' ' ' GLN . 24.8 ptt? -128.39 153.97 46.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.844 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -80.36 152.31 28.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.091 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.461 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.7 OUTLIER -87.86 153.37 21.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.818 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.61 -45.64 6.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.138 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -90.12 -10.71 43.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 142' ' ' ARG . 37.4 m-20 -120.48 -16.71 8.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.461 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 54.64 12.32 3.37 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.405 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.2 t -100.76 174.63 5.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 0.0 111.155 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -67.36 100.76 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 59' ' ' MET . 6.1 mm-40 -88.69 169.23 11.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.423 ' CB ' HD12 ' A' ' 87' ' ' LEU . 17.1 m -135.82 160.9 37.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.6 ttm-85 -152.91 150.77 29.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.3 mt -96.77 114.7 26.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.573 ' O ' HD12 ' A' ' 54' ' ' LEU . 2.1 t -115.75 147.22 19.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.733 ' SD ' HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -148.43 109.81 4.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.643 ' NH2' HD23 ' A' ' 79' ' ' LEU . 27.8 mtp180 -105.9 129.3 54.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.491 HG23 HD12 ' A' ' 82' ' ' ILE . 17.0 p -72.58 144.35 47.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.457 ' O ' ' C ' ' A' ' 77' ' ' GLY . 1.9 pp0? -57.43 -44.99 85.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 76' ' ' GLN . . . -33.67 -84.32 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.523 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 86.1 p -130.6 46.04 2.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.941 0.4 . . . . 0.0 110.83 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.643 HD23 ' NH2' ' A' ' 74' ' ' ARG . 9.8 mp 41.41 38.5 0.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -76.85 110.04 11.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.817 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.665 HD11 ' O ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -62.75 130.4 44.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.733 HD11 ' SD ' ' A' ' 73' ' ' MET . 0.2 OUTLIER -126.32 -26.01 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.078 179.858 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.665 ' O ' HD11 ' A' ' 81' ' ' LEU . 9.4 tp -124.09 129.78 51.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -161.58 105.02 1.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 4.8 t -148.33 132.39 17.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -75.51 125.06 28.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.609 HD23 ' CE ' ' A' ' 91' ' ' MET . 16.4 mt -58.11 148.21 27.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.592 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 46.1 p90 -129.67 157.86 40.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.35 -44.21 65.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.071 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.592 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 50.1 mm-40 -84.06 32.54 0.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.609 ' CE ' HD23 ' A' ' 87' ' ' LEU . 1.9 tpp -72.41 145.46 47.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -108.72 116.59 32.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.604 HD12 ' CD2' ' A' ' 132' ' ' LEU . 1.1 tt -149.02 123.41 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.136 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -130.25 144.6 51.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.539 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 16.7 tptp -80.46 101.34 9.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.2 -44.0 66.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.174 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.1 m -167.07 -175.91 3.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.568 ' O ' HG21 ' A' ' 125' ' ' THR . 7.7 tt0 -72.11 -33.64 68.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -112.68 28.11 9.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.403 ' C ' HG13 ' A' ' 101' ' ' ILE . 2.4 p -159.57 144.18 15.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.674 ' HB ' HD12 ' A' ' 118' ' ' ILE . 13.2 mt -141.87 153.52 19.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.15 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.732 ' CE1' ' CD1' ' A' ' 117' ' ' LEU . 5.6 m80 -122.95 119.84 31.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.479 ' C ' HD12 ' A' ' 103' ' ' ILE . 1.3 pp -139.49 147.91 23.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 16.1 p -97.81 125.68 42.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -143.93 158.62 43.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.155 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.722 ' HG3' HG22 ' A' ' 113' ' ' VAL . 9.6 mtt -86.69 161.44 18.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -103.8 164.34 11.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.818 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 68.4 p -91.86 -34.61 14.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.182 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -100.77 -51.32 3.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.832 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -64.15 -25.83 68.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 53.76 43.67 30.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -139.16 151.18 21.67 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.722 HG22 ' HG3' ' A' ' 106' ' ' MET . 51.7 t -81.24 97.59 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.895 0.379 . . . . 0.0 111.109 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.59 ' HG3' ' CZ ' ' A' ' 116' ' ' PHE . 0.5 OUTLIER -112.9 157.82 20.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.47 ' O ' HG13 ' A' ' 115' ' ' VAL . 6.5 p -98.52 116.16 40.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.173 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.59 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 70.0 m-85 -95.8 177.57 5.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.732 ' CD1' ' CE1' ' A' ' 102' ' ' HIS . 3.3 tp -122.98 158.11 31.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.971 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.692 HG21 ' CD2' ' A' ' 128' ' ' LEU . 2.9 mt -134.92 103.15 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.172 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 13.3 t -102.29 120.23 40.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.46 ' HB1' ' CB ' ' A' ' 124' ' ' ASP . . . -151.89 172.48 16.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.061 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.468 ' O ' ' C ' ' A' ' 122' ' ' SER . 8.8 m -65.16 146.99 54.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.826 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.468 ' C ' ' O ' ' A' ' 121' ' ' SER . 30.4 p -33.27 -45.31 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.783 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 24.9 tptt -68.06 -61.71 1.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.46 ' CB ' ' HB1' ' A' ' 120' ' ' ALA . 44.4 m-20 -44.46 -59.87 2.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.624 HG23 HD11 ' A' ' 101' ' ' ILE . 21.8 m -46.97 -64.21 0.84 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.158 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -39.52 -46.13 2.73 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -57.7 -66.02 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.329 . . . . 0.0 110.929 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.692 ' CD2' HG21 ' A' ' 118' ' ' ILE . 7.5 tp -45.35 -69.34 0.14 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.961 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.539 ' CZ ' ' HB2' ' A' ' 95' ' ' LYS . 41.6 t80 -41.19 -59.55 1.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.976 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -46.35 -38.07 8.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.126 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 132' ' ' LEU . . . -72.04 -60.15 2.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.604 ' CD2' HD12 ' A' ' 93' ' ' ILE . 3.4 mp -36.72 -69.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.963 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.454 ' C ' ' O ' ' A' ' 132' ' ' LEU . 11.2 t-160 -33.53 -55.52 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.459 ' HA ' HD12 ' A' ' 137' ' ' LEU . 1.0 OUTLIER -55.91 -44.87 78.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.772 ' NE ' HD22 ' A' ' 56' ' ' LEU . 72.7 mtt180 -48.87 -37.85 20.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.512 ' N ' HD13 ' A' ' 136' ' ' ILE . 2.1 mm -73.88 -47.21 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.141 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.474 ' HA ' ' CG ' ' A' ' 140' ' ' ARG . 38.8 mt -44.12 -40.27 4.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.11 -32.49 74.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 136' ' ' ILE . 2.1 mt -83.26 -57.95 3.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.474 ' CG ' ' HA ' ' A' ' 137' ' ' LEU . 2.1 ptm180 -54.68 -25.21 25.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.5 m -68.89 -27.25 65.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ARG . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 64' ' ' ASP . 13.6 mtp85 -71.82 -47.32 54.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 142' ' ' ARG . 71.7 t -35.83 -57.54 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.099 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -115.77 126.46 54.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 36.6 m -83.3 43.33 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.812 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -44.41 160.34 0.11 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.459 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -47.6 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.686 2.258 . . . . 0.0 112.34 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 48.0 t -78.12 100.36 6.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 15.1 m -138.82 137.91 37.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.49 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -151.64 137.76 18.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.882 0.372 . . . . 0.0 110.853 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.4 m -106.43 162.5 13.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.871 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.19 -164.64 39.74 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.4 p -164.67 136.93 4.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.911 0.386 . . . . 0.0 110.849 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.4 p -58.2 172.84 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.822 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.79 106.28 0.3 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.463 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.45 ' O ' HG23 ' A' ' 8' ' ' THR . 14.1 t -52.43 125.82 17.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.756 0.312 . . . . 0.0 111.207 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -109.74 163.96 13.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.046 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -108.29 172.71 6.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.7 mmtt -128.11 173.12 10.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.4 t -67.57 113.26 5.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 32.7 mt -127.95 151.31 49.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 tp -47.75 -55.8 8.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -66.85 72.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -92.84 157.8 16.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' A' ' 20' ' ' ILE . 1.9 t -89.07 -45.34 15.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 17' ' ' VAL . 10.0 pt-20 -34.5 -35.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.45 HG23 ' N ' ' A' ' 20' ' ' ILE . 24.3 m -82.33 -43.72 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.1 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.73 HG22 ' H ' ' A' ' 22' ' ' GLY . 92.9 mt -47.24 142.34 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.051 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 m -82.42 -23.1 35.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.175 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.73 ' H ' HG22 ' A' ' 20' ' ' ILE . . . -73.61 42.3 1.05 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.503 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -125.22 -22.0 4.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.893 0.378 . . . . 0.0 110.936 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -119.89 -18.04 8.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -102.67 42.14 1.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -79.42 166.23 22.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.5 m -88.87 149.15 23.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.79 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -117.17 116.82 28.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 1.114 HG11 HD23 ' A' ' 56' ' ' LEU . 8.8 p -96.88 -30.72 3.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.104 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.572 ' O ' HD12 ' A' ' 30' ' ' LEU . 3.2 pp -166.92 133.01 2.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.847 ' CG ' HD11 ' A' ' 53' ' ' LEU . 35.7 tt0 -132.42 140.35 48.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.958 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.06 136.83 5.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -63.85 127.31 30.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.702 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.8 t -145.06 -179.24 6.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -126.69 156.32 41.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.518 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 10.8 tp -119.86 139.71 51.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.518 ' CD1' ' O ' ' A' ' 36' ' ' LEU . 12.9 m-85 -140.86 137.65 33.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.553 HG22 ' HB2' ' A' ' 49' ' ' ARG . 6.9 m -122.08 153.42 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -90.76 130.77 36.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 42' ' ' THR . 18.5 t0 -125.59 106.23 9.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -38.4 -26.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.978 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.495 ' N ' ' O ' ' A' ' 40' ' ' ASP . 29.4 m -60.63 -48.17 82.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.1 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.0 m -95.44 -23.13 17.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 67.13 33.1 5.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.4 m -162.2 -177.13 5.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 63.9 m95 -76.54 127.76 33.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 48' ' ' GLU . 90.6 t -118.1 152.87 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.413 ' N ' HG12 ' A' ' 47' ' ' VAL . 20.2 tt0 -71.6 114.95 10.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.553 ' HB2' HG22 ' A' ' 38' ' ' VAL . 0.4 OUTLIER -105.58 -43.48 4.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 -179.867 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -174.18 117.8 0.65 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.6 ptt85 -115.61 141.22 48.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 0.0 110.862 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.445 ' N ' ' CE ' ' A' ' 73' ' ' MET . . . 169.89 -126.98 1.41 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.516 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.847 HD11 ' CG ' ' A' ' 31' ' ' GLN . 47.5 tp -102.04 144.72 30.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.891 0.377 . . . . 0.0 110.924 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.735 HD12 ' O ' ' A' ' 72' ' ' VAL . 4.1 tp -138.24 131.66 30.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.943 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.37 151.12 31.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.114 HD23 HG11 ' A' ' 29' ' ' VAL . 4.5 tp -90.82 112.4 24.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.41 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 5.1 p30 -92.19 135.38 34.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.471 ' C ' ' OD1' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -93.6 141.81 28.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 24.9 ptt? -152.87 147.39 25.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.11 152.02 23.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.464 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.5 OUTLIER -82.39 156.19 24.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.752 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.95 -53.77 3.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.148 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -84.01 -11.61 56.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -117.78 -18.01 9.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.464 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 52.42 14.08 2.14 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.453 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.694 HG21 ' NE ' ' A' ' 142' ' ' ARG . 11.9 t -97.53 175.0 6.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.756 0.312 . . . . 0.0 111.199 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.735 ' O ' HD13 ' A' ' 67' ' ' LEU . 2.7 tm? -66.52 99.43 0.57 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.96 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.638 HE22 ' HD3' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -93.9 168.38 11.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.3 m -154.89 162.39 41.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -148.24 165.33 31.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.982 HD21 HD11 ' A' ' 132' ' ' LEU . 5.7 mt -105.37 122.93 46.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.973 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.735 ' O ' HD12 ' A' ' 54' ' ' LEU . 2.3 t -124.68 146.79 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.165 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.445 ' CE ' ' N ' ' A' ' 52' ' ' GLY . 10.2 tpt -146.9 108.98 4.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 22.8 mtp85 -95.77 135.03 38.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.432 HG23 HD12 ' A' ' 82' ' ' ILE . 18.2 p -77.55 155.68 31.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -77.11 167.11 22.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.05 -47.47 2.26 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.478 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 56.1 p -143.99 137.94 28.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 0.0 110.85 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.495 ' CD2' ' N ' ' A' ' 79' ' ' LEU . 1.2 mm? -68.19 71.22 0.17 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -109.18 110.3 21.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.653 HD13 ' N ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -76.56 134.11 39.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.658 ' H ' HD13 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -127.31 -27.68 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.885 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.564 ' O ' HD11 ' A' ' 81' ' ' LEU . 3.0 tp -121.0 115.85 23.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -147.01 105.0 3.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.654 HG21 ' HB1' ' A' ' 105' ' ' ALA . 4.6 t -146.26 156.37 43.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.638 ' HD3' HE22 ' A' ' 68' ' ' GLN . 3.7 tmmm? -93.27 149.79 20.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.958 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.607 HD21 ' HG ' ' A' ' 71' ' ' LEU . 26.2 mt -88.7 133.34 34.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.87 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.604 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 46.8 p90 -120.68 158.08 28.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.491 ' HB1' ' HA ' ' A' ' 140' ' ' ARG . . . -53.21 -42.62 66.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.071 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.604 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 70.2 mm-40 -85.08 32.11 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.607 ' SD ' HD22 ' A' ' 87' ' ' LEU . 2.3 ttm -77.02 140.6 40.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -98.33 116.41 30.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.428 ' CD1' ' HB3' ' A' ' 132' ' ' LEU . 2.1 tt -151.83 117.66 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -134.69 130.9 37.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.821 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.513 ' HD3' ' CD2' ' A' ' 129' ' ' TYR . 12.4 tptm -62.84 93.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.732 ' HB2' ' ND1' ' A' ' 102' ' ' HIS . . . -61.39 -48.35 81.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 t -149.23 172.6 14.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -70.0 -22.74 63.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -112.95 -8.11 13.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 69.9 m -127.76 150.28 49.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.894 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.443 HD12 ' HB ' ' A' ' 118' ' ' ILE . 8.7 mt -133.41 138.64 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.732 ' ND1' ' HB2' ' A' ' 96' ' ' ALA . 7.2 m170 -105.25 107.62 18.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.57 HD13 HD13 ' A' ' 71' ' ' LEU . 1.0 OUTLIER -130.96 147.24 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 42.4 p -103.26 127.26 50.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.654 ' HB1' HG21 ' A' ' 85' ' ' THR . . . -144.34 169.72 17.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.477 ' HG3' HG22 ' A' ' 113' ' ' VAL . 28.2 mtt -99.39 163.19 12.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -106.32 157.42 17.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.833 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 78.1 p -79.67 -36.16 38.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.06 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -98.1 -50.97 4.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.838 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 111' ' ' GLN . 3.0 t70 -70.11 -12.46 61.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 110' ' ' ASP . 14.6 mt-30 34.54 47.23 0.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.815 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -140.21 149.63 21.0 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.442 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.477 HG22 ' HG3' ' A' ' 106' ' ' MET . 64.6 t -79.33 107.51 11.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.863 0.363 . . . . 0.0 111.142 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.569 ' HG3' ' CE2' ' A' ' 116' ' ' PHE . 0.6 OUTLIER -119.15 158.36 26.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 179.874 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 82.2 t -81.87 109.54 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.161 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.569 ' CE2' ' HG3' ' A' ' 114' ' ' LYS . 57.3 m-85 -97.54 156.1 16.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.579 HD12 ' CD2' ' A' ' 102' ' ' HIS . 3.2 tp -122.5 156.66 33.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.445 HG22 ' SG ' ' A' ' 34' ' ' CYS . 32.5 mt -131.83 95.63 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.074 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 36.8 t -87.77 100.26 12.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.702 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -132.44 172.34 12.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 123' ' ' LYS . 2.7 t -68.16 144.7 54.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 121' ' ' SER . 24.0 p -37.1 -32.25 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.834 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 121' ' ' SER . 19.9 tptm -78.32 -59.51 2.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.882 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -55.79 -53.73 53.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 52.5 m -41.02 -49.93 3.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.147 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -57.37 -44.87 93.38 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -57.54 -60.3 3.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.751 0.31 . . . . 0.0 110.859 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.511 ' HG ' HD21 ' A' ' 54' ' ' LEU . 0.7 OUTLIER -50.95 -67.67 0.23 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.946 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.513 ' CD2' ' HD3' ' A' ' 95' ' ' LYS . 40.6 t80 -46.4 -60.71 2.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -41.41 -45.25 3.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.06 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.577 ' HB1' HD22 ' A' ' 56' ' ' LEU . . . -63.78 -62.58 1.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.982 HD11 HD21 ' A' ' 71' ' ' LEU . 0.6 OUTLIER -37.98 -70.88 0.09 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.503 ' CE1' HD21 ' A' ' 137' ' ' LEU . 3.0 t-160 -32.89 -68.58 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.502 ' HA ' HD12 ' A' ' 137' ' ' LEU . 6.7 t-80 -41.64 -61.29 1.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.842 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.723 ' NE ' HD21 ' A' ' 56' ' ' LEU . 12.3 mmt180 -35.99 -39.86 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.819 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.433 HG12 ' HB3' ' A' ' 91' ' ' MET . 4.4 mp -83.62 -44.49 18.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.167 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.503 HD21 ' CE1' ' A' ' 133' ' ' HIS . 83.1 mt -47.26 -29.32 2.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.917 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -77.82 -30.35 51.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.163 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 5.7 mt -78.93 -56.7 4.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.491 ' HA ' ' HB1' ' A' ' 89' ' ' ALA . 5.8 ptm180 -45.34 -28.76 0.89 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.811 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 40.1 t -70.37 -50.16 41.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ARG . . . . . 0.694 ' NE ' HG21 ' A' ' 66' ' ' THR . 4.2 mtm105 -47.32 -51.66 18.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.429 ' C ' ' O ' ' A' ' 142' ' ' ARG . 99.9 t -34.91 -54.19 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -104.04 117.49 34.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.4 m -84.23 84.14 7.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -62.2 -153.37 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.514 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -11.67 31.24 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.698 2.265 . . . . 0.0 112.298 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 46.8 p -91.39 147.63 22.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.9 t -143.97 172.08 13.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.911 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.578 -179.932 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.6 m -153.72 145.84 23.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.349 . . . . 0.0 110.896 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.5 p -152.0 167.09 29.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.853 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.93 -49.53 0.36 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.482 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.1 p -48.86 129.19 16.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.816 0.341 . . . . 0.0 110.854 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.1 m -136.33 145.08 45.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.815 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.34 139.29 15.37 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.422 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 73.6 p -86.88 -46.36 9.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.806 0.336 . . . . 0.0 111.145 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -174.67 147.66 1.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.02 150.12 45.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.454 ' HD2' ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -96.68 -36.12 10.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.454 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 32.0 p -88.86 178.37 6.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.83 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -78.22 129.33 34.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' ' 14' ' ' LEU . 11.5 mt -57.5 160.48 4.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 47.16 38.65 7.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -56.62 147.73 21.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.613 ' HA ' HD12 ' A' ' 20' ' ' ILE . 16.1 m -77.77 -32.24 17.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.15 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.514 ' HG3' HG13 ' A' ' 19' ' ' VAL . 17.8 pt-20 -37.9 -41.04 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.548 HG23 ' N ' ' A' ' 20' ' ' ILE . 33.4 m -87.74 -46.98 15.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.122 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.613 HD12 ' HA ' ' A' ' 17' ' ' VAL . 96.0 mt -40.91 147.09 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.078 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.439 HG22 ' N ' ' A' ' 22' ' ' GLY . 3.2 m -53.91 163.98 0.66 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.078 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.439 ' N ' HG22 ' A' ' 21' ' ' THR . . . -42.83 -37.98 3.06 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.489 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 22' ' ' GLY . 3.7 pt-20 37.14 46.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.77 0.319 . . . . 0.0 110.878 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.594 ' CG ' ' O ' ' A' ' 24' ' ' GLU . 4.3 pt-20 -175.57 109.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 61.43 47.9 6.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.079 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -84.7 157.29 21.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.2 m -107.6 135.21 49.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.83 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -141.87 134.14 27.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.498 ' CG2' HD23 ' A' ' 56' ' ' LEU . 4.4 m -108.89 -33.08 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.447 ' O ' HD12 ' A' ' 30' ' ' LEU . 4.0 pp -156.74 134.17 10.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.968 ' CG ' HD11 ' A' ' 53' ' ' LEU . 33.0 tt0 -134.83 132.41 38.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.467 ' CE ' ' HB3' ' A' ' 124' ' ' ASP . 0.2 OUTLIER -155.7 133.97 11.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.911 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -62.26 123.21 17.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.581 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.6 t -138.91 -176.25 4.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.421 ' HD3' ' CZ ' ' A' ' 37' ' ' PHE . 33.7 tttp -125.35 151.92 45.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.9 tp -115.57 139.46 50.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.421 ' CZ ' ' HD3' ' A' ' 35' ' ' LYS . 64.2 m-85 -130.69 154.85 47.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.833 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.478 ' CG1' ' CE1' ' A' ' 116' ' ' PHE . 2.5 m -144.15 144.08 22.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.138 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.413 ' CZ ' ' HA ' ' A' ' 44' ' ' GLN . 29.4 t80 -89.5 124.14 34.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 42' ' ' THR . 4.8 t0 -118.53 105.04 11.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 40' ' ' ASP . 11.4 ttmt -33.95 -33.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.924 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 40' ' ' ASP . 32.9 m -56.84 -51.01 70.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.144 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 40' ' ' ASP . 44.8 t -89.2 -26.87 21.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.889 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.413 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 7.4 mm100 68.76 36.11 2.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.86 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 t -165.55 -177.82 4.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.806 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 73.3 m95 -73.87 132.35 42.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 92.9 t -124.15 148.89 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.15 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -70.3 115.28 9.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.472 ' HB2' HG22 ' A' ' 38' ' ' VAL . 1.2 tmt_? -96.07 -43.08 7.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -176.81 126.01 1.08 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -112.29 144.86 41.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.91 0.386 . . . . 0.0 110.818 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 165.41 -124.35 1.24 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.469 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.968 HD11 ' CG ' ' A' ' 31' ' ' GLN . 53.6 tp -108.83 145.57 35.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.819 0.343 . . . . 0.0 110.922 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.6 HD12 ' O ' ' A' ' 72' ' ' VAL . 2.5 tp -141.5 130.1 22.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.466 ' NH2' ' NE ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -151.49 151.14 31.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.825 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.625 HD22 ' HB1' ' A' ' 131' ' ' ALA . 2.3 tp -89.65 111.04 21.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -94.53 154.12 17.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.549 ' CG ' HD21 ' A' ' 67' ' ' LEU . 6.2 t0 -108.26 142.36 38.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.506 ' O ' ' N ' ' A' ' 68' ' ' GLN . 18.9 ptt? -150.06 146.7 27.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.16 156.59 31.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.17 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.491 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.5 OUTLIER -87.81 158.14 18.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.865 -179.773 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.77 -49.05 4.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.182 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -88.43 -12.73 42.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -117.29 -18.22 9.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.491 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 52.81 20.6 8.27 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.505 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.49 HG21 ' NE ' ' A' ' 142' ' ' ARG . 11.3 t -105.36 174.92 5.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.826 0.346 . . . . 0.0 111.134 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.594 ' C ' HD13 ' A' ' 67' ' ' LEU . 2.5 tm? -65.5 99.38 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.96 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.506 ' N ' ' O ' ' A' ' 59' ' ' MET . 6.9 mm-40 -94.18 171.6 8.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.485 ' CB ' ' HD3' ' A' ' 135' ' ' ARG . 50.1 m -151.64 160.72 43.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.482 ' CD ' HG23 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -151.87 170.54 19.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.871 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.544 ' HG ' HD21 ' A' ' 87' ' ' LEU . 4.0 mt -105.28 118.36 36.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.6 ' O ' HD12 ' A' ' 54' ' ' LEU . 2.1 t -115.19 148.79 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.471 ' C ' ' SD ' ' A' ' 73' ' ' MET . 0.0 OUTLIER -148.95 116.59 6.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.676 ' HD3' HD12 ' A' ' 79' ' ' LEU . 68.6 mtt180 -109.9 128.68 55.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.598 HG23 HD12 ' A' ' 82' ' ' ILE . 11.8 p -72.89 159.52 33.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.106 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -85.82 115.72 23.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 148.64 -77.44 0.24 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.523 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.3 m -122.5 36.0 4.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.953 0.406 . . . . 0.0 110.9 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.676 HD12 ' HD3' ' A' ' 74' ' ' ARG . 4.3 mm? 40.03 49.89 2.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -85.61 126.32 33.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.688 HD13 ' N ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -84.53 137.99 33.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.688 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -131.7 -29.97 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.08 179.899 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.634 ' O ' HD11 ' A' ' 81' ' ' LEU . 13.8 tp -119.56 124.88 47.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -156.84 105.03 2.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.647 HG21 ' HB1' ' A' ' 105' ' ' ALA . 9.6 t -144.93 149.11 34.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.472 ' HD3' ' NE2' ' A' ' 68' ' ' GLN . 31.7 ttmt -91.67 121.14 33.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.544 HD21 ' HG ' ' A' ' 71' ' ' LEU . 12.9 mt -56.12 139.3 47.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.602 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 47.8 p90 -125.86 155.55 41.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.409 ' C ' ' H ' ' A' ' 91' ' ' MET . . . -54.11 -44.87 71.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.602 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 72.9 mm-40 -78.93 29.61 0.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.954 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.514 ' HA ' ' NE1' ' A' ' 88' ' ' TRP . 3.1 ttm -74.34 147.26 42.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -113.01 110.88 21.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.6 tt -141.99 111.87 2.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -112.06 135.8 52.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.532 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 12.8 tptp -84.83 98.28 10.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.85 -37.77 76.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.087 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.12 174.19 2.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.799 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -78.48 9.28 4.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -118.8 -31.35 4.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.412 ' C ' HG13 ' A' ' 101' ' ' ILE . 52.1 p -133.16 152.58 51.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.813 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.455 HD11 ' CG2' ' A' ' 125' ' ' THR . 14.9 mt -140.33 138.51 36.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.103 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -103.16 116.59 32.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.536 HD13 HD13 ' A' ' 71' ' ' LEU . 1.3 pp -131.53 144.78 36.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 18.4 p -98.27 128.67 44.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.647 ' HB1' HG21 ' A' ' 85' ' ' THR . . . -149.18 159.75 43.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.05 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.551 ' HG3' HG22 ' A' ' 113' ' ' VAL . 12.7 mtm -89.6 173.7 8.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -110.81 161.06 16.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.864 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 62.2 p -86.37 -37.57 18.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -99.27 -48.9 4.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -70.41 -20.21 62.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.792 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 45.1 48.26 9.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -139.88 154.88 24.06 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.462 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.551 HG22 ' HG3' ' A' ' 106' ' ' MET . 93.3 t -87.95 119.92 36.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.934 0.397 . . . . 0.0 111.181 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.482 ' HD2' ' CZ ' ' A' ' 116' ' ' PHE . 8.8 ptpt -131.84 162.55 30.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 90.5 t -84.9 108.61 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.156 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.482 ' CZ ' ' HD2' ' A' ' 114' ' ' LYS . 55.3 m-85 -96.13 157.4 15.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.441 ' HG ' ' N ' ' A' ' 118' ' ' ILE . 6.1 tp -123.77 153.58 40.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.939 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.441 ' N ' ' HG ' ' A' ' 117' ' ' LEU . 62.4 mt -126.19 95.98 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 26.8 t -91.68 112.55 24.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.581 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -147.21 178.17 8.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.0 t -70.5 160.18 32.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 10.0 p -44.31 -34.23 1.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 19.8 tptm -81.1 -67.43 0.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.468 ' HB2' ' HB1' ' A' ' 120' ' ' ALA . 39.4 m-20 -41.24 -59.39 1.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.811 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.455 ' CG2' HD11 ' A' ' 101' ' ' ILE . 98.6 m -43.28 -56.33 3.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -48.0 -51.21 19.75 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.46 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -46.83 -69.41 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.828 0.347 . . . . 0.0 110.892 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.448 HD11 HD21 ' A' ' 54' ' ' LEU . 2.0 mm? -38.35 -69.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.948 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.532 ' CZ ' ' HB2' ' A' ' 95' ' ' LYS . 72.3 t80 -44.19 -50.5 8.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.44 -28.36 59.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.085 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.625 ' HB1' HD22 ' A' ' 56' ' ' LEU . . . -83.85 -51.07 7.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.18 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 133' ' ' HIS . 25.9 mt -53.71 -67.35 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.449 ' C ' ' O ' ' A' ' 132' ' ' LEU . 12.7 t-80 -33.56 -62.07 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -52.93 -47.68 67.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.485 ' HD3' ' CB ' ' A' ' 69' ' ' SER . 2.7 mmp_? -52.68 -37.95 59.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.801 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.481 ' N ' HD13 ' A' ' 136' ' ' ILE . 3.1 mm -67.96 -48.09 76.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.474 ' HA ' ' CG ' ' A' ' 140' ' ' ARG . 22.4 mt -46.86 -41.99 16.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.57 -40.85 93.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.065 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.3 mt -67.9 -51.67 45.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.474 ' CG ' ' HA ' ' A' ' 137' ' ' LEU . 10.4 ptm180 -65.04 -21.42 66.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 18.7 t -73.4 -29.48 62.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.8 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ARG . . . . . 0.49 ' NE ' HG21 ' A' ' 66' ' ' THR . 20.8 mtt-85 -73.0 -46.35 52.73 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 15.9 m -71.06 -38.89 73.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -131.59 137.93 48.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.821 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 68.1 m -97.97 91.56 5.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -75.15 175.16 51.17 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 164.64 33.88 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.659 2.24 . . . . 0.0 112.298 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 67.3 m -147.36 126.95 13.28 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 29.1 m -128.22 173.06 10.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.508 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.8 t -103.47 142.76 33.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.898 0.38 . . . . 0.0 110.873 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.2 m -107.22 -44.74 4.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.846 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.8 173.23 42.2 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.5 t -128.0 129.94 47.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.898 0.38 . . . . 0.0 110.878 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.4 p -129.57 111.71 13.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.846 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.14 154.97 10.54 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 65.0 p -143.14 114.92 8.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.847 0.356 . . . . 0.0 111.149 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.95 174.8 8.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.6 169.12 23.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -129.25 138.8 51.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 95.2 m -125.4 -49.49 1.67 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -151.73 173.86 14.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mp -66.17 171.98 4.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 41.65 46.09 3.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.456 ' O ' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -47.19 173.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.475 ' HA ' HD12 ' A' ' 20' ' ' ILE . 2.9 m -69.82 -22.89 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -50.31 -38.55 42.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 16' ' ' LYS . 15.5 m -87.31 -29.09 5.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.105 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.619 HG22 ' H ' ' A' ' 22' ' ' GLY . 58.1 mt -67.38 145.57 13.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.0 m -98.29 -19.77 17.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.189 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.619 ' H ' HG22 ' A' ' 20' ' ' ILE . . . -68.98 6.36 3.91 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -80.55 15.9 1.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.795 0.331 . . . . 0.0 110.895 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.421 ' CG ' ' N ' ' A' ' 25' ' ' ALA . 10.3 pt-20 -78.33 -54.38 6.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.421 ' N ' ' CG ' ' A' ' 24' ' ' GLU . . . 44.28 30.51 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 25' ' ' ALA . 1.0 OUTLIER -41.38 164.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.891 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.489 ' CB ' ' OD1' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -147.41 138.38 23.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.809 -179.797 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -103.39 108.06 19.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.806 HG21 HD23 ' A' ' 56' ' ' LEU . 2.3 m -77.82 -44.92 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.506 ' N ' ' CG2' ' A' ' 29' ' ' VAL . 3.6 pp -159.63 150.4 19.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.886 ' CG ' HD11 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -142.7 147.61 35.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.442 ' N ' ' HG2' ' A' ' 31' ' ' GLN . 2.7 ptm -168.55 143.64 3.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -72.86 117.49 14.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.95 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.864 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.8 t -134.61 176.05 8.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.875 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -120.83 137.43 54.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.909 HD21 ' CD1' ' A' ' 116' ' ' PHE . 5.8 tp -103.05 137.01 41.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.527 ' HD2' HD23 ' A' ' 117' ' ' LEU . 22.3 m-85 -136.34 117.78 14.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.655 HG11 ' CE1' ' A' ' 116' ' ' PHE . 28.6 m -109.56 152.33 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -87.02 127.31 35.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 42' ' ' THR . 66.9 t0 -119.64 98.62 6.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 40' ' ' ASP . 2.9 ttmm -33.54 -33.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 40' ' ' ASP . 86.4 m -55.38 -50.68 69.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 40' ' ' ASP . 5.9 p -91.59 -25.99 18.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 68.8 30.7 4.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 56.0 m -149.92 -177.69 6.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 85.1 m95 -81.69 100.65 9.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.963 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 89.2 t -99.19 130.84 47.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.125 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -68.61 134.57 50.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.08 -5.77 19.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 146.97 124.74 1.57 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.418 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.75 156.58 20.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.881 0.372 . . . . 0.0 110.825 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 163.99 -119.49 0.88 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.525 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.886 HD11 ' CG ' ' A' ' 31' ' ' GLN . 37.2 tp -112.19 134.56 53.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.822 0.344 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.564 HD12 ' O ' ' A' ' 72' ' ' VAL . 4.7 tp -127.55 131.48 50.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.915 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.59 150.78 30.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.806 HD23 HG21 ' A' ' 29' ' ' VAL . 3.5 tp -94.36 117.69 30.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -102.6 143.25 32.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.803 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.489 ' OD1' ' CB ' ' A' ' 27' ' ' SER . 0.5 OUTLIER -100.19 145.2 28.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 179.847 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.479 ' O ' ' N ' ' A' ' 68' ' ' GLN . 24.6 ptt? -151.22 151.86 32.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -82.33 154.19 25.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.056 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.442 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 1.1 t -87.31 157.91 19.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.42 -55.2 2.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.78 -6.84 59.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -122.0 -20.47 6.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.442 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 55.39 12.63 4.62 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.463 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.2 t -98.15 172.78 7.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 0.0 111.172 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -66.2 100.96 0.66 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -92.15 167.83 11.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.872 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.5 m -136.87 159.66 41.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -148.19 152.85 37.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.491 HD21 HD21 ' A' ' 132' ' ' LEU . 13.8 mt -104.54 120.05 40.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.564 ' O ' HD12 ' A' ' 54' ' ' LEU . 2.2 t -123.43 147.23 27.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.068 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 10.9 tpt -148.32 105.86 3.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 58.4 mtm180 -90.89 138.3 31.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.832 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.85 HG23 HD12 ' A' ' 82' ' ' ILE . 19.0 p -91.74 132.0 36.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.076 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -47.87 170.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.91 -75.71 2.17 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.433 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 97.1 p -122.33 22.19 10.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.903 0.382 . . . . 0.0 110.883 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.2 mp 40.43 41.17 0.99 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.9 ttt-85 -70.59 136.87 49.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.694 HD11 ' O ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -87.36 128.55 35.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.85 HD12 HG23 ' A' ' 75' ' ' THR . 0.2 OUTLIER -127.2 -16.01 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.113 179.888 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.694 ' O ' HD11 ' A' ' 81' ' ' LEU . 2.3 tp -132.22 124.88 29.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.521 ' N ' HD12 ' A' ' 83' ' ' LEU . 2.7 t-20 -157.88 105.57 1.99 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.842 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.533 HG21 ' CB ' ' A' ' 105' ' ' ALA . 4.8 t -143.68 141.51 30.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.457 ' HG3' ' CE ' ' A' ' 59' ' ' MET . 13.6 ttpt -84.75 117.03 23.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.808 HD23 ' CE ' ' A' ' 91' ' ' MET . 8.2 mt -56.51 148.06 20.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.548 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 40.5 p90 -129.93 161.04 31.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.29 -46.13 72.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.112 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.548 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 40.9 mm-40 -83.35 32.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.962 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.808 ' CE ' HD23 ' A' ' 87' ' ' LEU . 4.3 tpp -73.99 141.08 45.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -101.05 105.82 17.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.502 HG22 ' HG3' ' A' ' 91' ' ' MET . 2.1 tt -145.64 119.85 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -138.64 143.63 39.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.455 ' HE3' HG22 ' A' ' 125' ' ' THR . 5.9 tptm -76.9 94.03 3.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.45 -33.72 76.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.075 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.2 t -153.28 174.48 14.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -81.67 -5.72 58.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -128.36 -6.93 5.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.2 m -133.24 149.76 51.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.783 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.44 ' CD1' HD21 ' A' ' 128' ' ' LEU . 5.5 mt -135.44 147.96 28.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.123 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 3.3 m80 -114.95 100.67 8.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.516 ' C ' HD12 ' A' ' 103' ' ' ILE . 1.1 pp -117.75 141.55 36.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 19.5 p -99.29 114.59 27.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.104 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.533 ' CB ' HG21 ' A' ' 85' ' ' THR . . . -131.16 157.44 43.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.686 ' HG3' HG22 ' A' ' 113' ' ' VAL . 23.8 mtt -89.38 151.92 21.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -88.55 159.01 18.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 72.4 p -78.72 -42.68 27.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -96.31 -50.2 4.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -67.23 -17.37 64.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 40.67 45.25 1.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -134.64 142.22 13.65 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.512 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.686 HG22 ' HG3' ' A' ' 106' ' ' MET . 58.5 t -74.2 103.59 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.93 0.395 . . . . 0.0 111.093 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.582 ' HG3' ' CE2' ' A' ' 116' ' ' PHE . 1.2 ptpm? -112.12 162.48 15.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 86.6 t -83.44 107.39 14.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.146 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.909 ' CD1' HD21 ' A' ' 36' ' ' LEU . 46.3 m-85 -95.72 140.57 30.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.814 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.527 HD23 ' HD2' ' A' ' 37' ' ' PHE . 3.2 tp -109.06 158.38 17.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.951 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.661 HG21 HD11 ' A' ' 128' ' ' LEU . 16.8 mt -137.96 105.06 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 48.3 t -99.9 109.4 21.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.864 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -140.14 173.63 11.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 6.6 t -52.53 148.3 7.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.3 p -40.73 -39.47 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 14.3 tptp -82.91 -60.05 2.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 127' ' ' GLN . 1.0 OUTLIER -41.49 -56.54 2.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.842 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.455 HG22 ' HE3' ' A' ' 95' ' ' LYS . 99.8 m -41.03 -34.53 0.43 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -80.51 -30.36 40.75 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.525 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 124' ' ' ASP . 7.4 mt-30 -56.61 -69.21 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.815 0.341 . . . . 0.0 110.936 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.661 HD11 HG21 ' A' ' 118' ' ' ILE . 0.8 OUTLIER -55.72 -34.09 64.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.448 ' N ' ' HG ' ' A' ' 128' ' ' LEU . 38.0 t80 -61.11 -62.77 1.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -45.93 -25.28 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.074 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.716 ' HB1' ' CD2' ' A' ' 56' ' ' LEU . . . -79.56 -63.6 1.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.108 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.591 ' O ' HD12 ' A' ' 136' ' ' ILE . 10.4 mp -41.67 -64.61 0.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -37.95 -62.05 0.59 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.815 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.5 ' O ' ' N ' ' A' ' 136' ' ' ILE . 47.9 t60 -49.02 -59.81 3.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.646 ' HE ' HD21 ' A' ' 56' ' ' LEU . 12.9 mmt180 -36.85 -29.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.591 HD12 ' O ' ' A' ' 132' ' ' LEU . 4.1 mp -91.18 -46.88 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.075 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.44 ' HA ' ' CG ' ' A' ' 140' ' ' ARG . 66.9 mt -47.2 -29.8 2.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -75.34 -35.04 61.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.8 mt -75.17 -47.04 30.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.44 ' CG ' ' HA ' ' A' ' 137' ' ' LEU . 6.2 ptm180 -64.24 -13.36 48.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.817 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 35.7 t -82.53 -24.06 34.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 25.8 mtp85 -81.22 -50.15 9.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.588 HG23 ' N ' ' A' ' 144' ' ' GLU . 27.4 m -60.84 -51.53 72.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.151 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' GLU . . . . . 0.588 ' N ' HG23 ' A' ' 143' ' ' VAL . 5.8 mm-40 -136.78 122.47 19.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 11.2 t -117.67 119.86 36.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.911 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -54.08 148.49 18.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.488 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.63 -46.4 1.29 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.773 2.315 . . . . 0.0 112.353 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 43.6 m -53.5 112.94 1.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.81 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 48.7 m -157.25 136.89 12.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.498 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.6 t -122.89 48.11 1.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.898 0.38 . . . . 0.0 110.841 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.0 p -94.55 172.37 8.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.794 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.22 139.89 2.77 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.444 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.2 t -55.32 178.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.892 0.377 . . . . 0.0 110.868 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.7 t -141.15 115.56 9.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.819 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.98 140.15 3.53 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.491 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.8 -54.56 1.0 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.814 0.34 . . . . 0.0 111.119 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -174.31 178.99 1.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.085 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.83 129.25 35.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -152.04 115.01 4.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 16.4 t -53.09 131.69 36.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.2 mt -81.94 136.3 35.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.863 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.552 HD23 ' N ' ' A' ' 15' ' ' GLU . 10.1 tt -54.94 152.97 6.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.552 ' N ' HD23 ' A' ' 14' ' ' LEU . 5.5 mm-40 57.54 47.91 15.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.45 ' O ' HG22 ' A' ' 19' ' ' VAL . 1.3 tppm? -65.49 160.92 21.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.415 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 4.1 m -44.53 -23.12 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.709 ' HG3' HG13 ' A' ' 19' ' ' VAL . 11.5 pt-20 -52.28 -37.85 56.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.709 HG13 ' HG3' ' A' ' 18' ' ' GLU . 35.9 m -98.75 -31.25 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.175 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.693 HG22 ' H ' ' A' ' 22' ' ' GLY . 4.3 mt -54.07 143.8 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.092 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.43 ' O ' HG22 ' A' ' 21' ' ' THR . 99.2 m -59.74 -14.82 16.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.171 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.693 ' H ' HG22 ' A' ' 20' ' ' ILE . . . 116.42 -27.11 8.22 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 22' ' ' GLY . 9.9 pt-20 35.08 46.04 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 110.868 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -98.91 -17.26 18.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -91.02 8.23 36.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -50.92 -176.27 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -90.06 147.53 23.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.791 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -124.54 80.65 1.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 66.9 t -39.28 -69.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.144 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.4 pp -144.03 134.68 24.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.867 ' CG ' HD11 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -124.89 129.44 50.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.925 179.893 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.99 123.48 6.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -45.34 134.73 6.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.638 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.8 t -154.31 173.57 15.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.541 ' HD3' ' CZ ' ' A' ' 37' ' ' PHE . 36.6 tttt -114.4 155.25 26.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.4 tp -123.43 137.57 54.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.953 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.541 ' CZ ' ' HD3' ' A' ' 35' ' ' LYS . 59.4 m-85 -130.35 163.59 26.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.697 ' CG1' ' CE1' ' A' ' 116' ' ' PHE . 2.8 m -150.88 152.34 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -100.24 117.51 34.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.504 ' O ' ' N ' ' A' ' 42' ' ' THR . 16.6 t0 -110.25 103.86 12.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.839 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 40' ' ' ASP . 1.7 ttmm -34.38 -32.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.504 ' N ' ' O ' ' A' ' 40' ' ' ASP . 89.3 m -57.1 -49.92 74.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 40' ' ' ASP . 7.5 t -90.93 -26.13 19.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 70.3 31.71 3.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.8 m -160.21 -178.03 6.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.781 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 60.7 m95 -76.17 142.8 41.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.964 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 86.0 t -130.22 147.53 33.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.111 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -72.48 95.02 1.73 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.768 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -70.71 -59.97 2.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -170.4 120.29 0.85 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.493 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.09 145.75 29.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.859 0.361 . . . . 0.0 110.854 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.547 ' N ' ' CE ' ' A' ' 73' ' ' MET . . . 174.45 -125.92 1.15 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.525 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.867 HD11 ' CG ' ' A' ' 31' ' ' GLN . 29.0 tp -111.22 115.99 30.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.86 0.362 . . . . 0.0 110.903 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.5 HD12 ' O ' ' A' ' 72' ' ' VAL . 4.7 tp -102.67 137.68 40.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -151.19 152.03 32.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.029 HD22 ' HB1' ' A' ' 131' ' ' ALA . 2.7 tp -102.62 109.51 21.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.7 p-10 -92.4 154.9 18.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -122.75 137.1 55.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.519 ' O ' ' N ' ' A' ' 68' ' ' GLN . 12.3 ptt? -146.64 153.21 40.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.32 150.69 36.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.085 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.516 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -86.24 154.69 21.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.863 -179.76 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.501 HG23 ' N ' ' A' ' 63' ' ' ASP . 5.9 t -99.22 -48.3 4.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.145 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.501 ' N ' HG23 ' A' ' 62' ' ' THR . 3.7 t70 -87.84 -13.99 40.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.429 ' HB3' HG22 ' A' ' 66' ' ' THR . 5.7 m-20 -116.56 -18.39 10.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.817 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.516 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 56.32 11.22 4.77 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.51 HG21 ' HD2' ' A' ' 142' ' ' ARG . 7.4 t -99.94 175.01 5.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.783 0.325 . . . . 0.0 111.123 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.484 ' C ' HD13 ' A' ' 67' ' ' LEU . 2.0 tm? -64.49 99.99 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.893 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.519 ' N ' ' O ' ' A' ' 59' ' ' MET . 4.1 mm-40 -90.8 170.33 10.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.491 ' CB ' ' HG2' ' A' ' 135' ' ' ARG . 7.4 m -159.07 170.01 22.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.471 ' HB3' ' HE2' ' A' ' 59' ' ' MET . 5.0 ptp180 -154.84 153.69 31.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.008 HD21 HD21 ' A' ' 132' ' ' LEU . 8.5 mt -92.33 116.71 29.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.5 ' O ' HD12 ' A' ' 54' ' ' LEU . 2.3 t -118.93 147.15 22.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.206 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.547 ' CE ' ' N ' ' A' ' 52' ' ' GLY . 12.3 tpt -149.58 105.8 3.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.595 ' HD2' HD22 ' A' ' 79' ' ' LEU . 82.2 mtm180 -96.69 132.21 42.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.6 p -68.31 162.09 25.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -90.26 92.77 9.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 167.64 -95.78 0.12 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.448 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 79' ' ' LEU . 3.5 m -102.07 39.8 1.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.93 0.395 . . . . 0.0 110.876 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.595 HD22 ' HD2' ' A' ' 74' ' ' ARG . 29.9 mt 37.81 53.56 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.954 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -90.34 114.09 26.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.846 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.673 HD13 ' N ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -77.72 137.0 38.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.683 ' H ' HD13 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -130.09 -29.69 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.126 179.844 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.605 ' O ' HD11 ' A' ' 81' ' ' LEU . 6.9 tp -119.51 120.64 37.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -152.21 105.34 3.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.465 HG21 ' HB1' ' A' ' 105' ' ' ALA . 11.2 t -142.33 148.86 38.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.103 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.468 ' HD3' ' NE2' ' A' ' 68' ' ' GLN . 29.4 ttmt -93.53 119.91 33.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.545 HD23 ' HE2' ' A' ' 91' ' ' MET . 20.5 mt -56.84 141.59 44.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.931 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.552 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 41.9 p90 -123.54 162.42 22.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.37 -46.13 76.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.083 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.552 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 74.9 mm-40 -83.14 32.58 0.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.545 ' HE2' HD23 ' A' ' 87' ' ' LEU . 1.8 tpp -68.02 143.41 55.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 18.4 mp0 -109.41 109.87 20.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.0 tt -141.73 111.34 2.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.201 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -120.61 144.4 48.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.437 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 15.3 tptm -86.92 97.06 10.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.66 -39.01 88.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.0 t -154.17 -178.66 7.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -78.84 -27.82 44.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -108.74 -6.99 15.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 54.3 p -130.76 136.72 49.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.815 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.484 HD11 ' CG2' ' A' ' 125' ' ' THR . 13.6 mt -125.92 160.25 33.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.204 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.467 ' N ' HG22 ' A' ' 101' ' ' ILE . 3.3 m80 -126.24 110.32 13.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.707 HD13 HD13 ' A' ' 71' ' ' LEU . 1.3 pp -128.7 143.56 40.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.182 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 29.5 p -97.39 120.26 37.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.56 ' HB3' ' CD2' ' A' ' 116' ' ' PHE . . . -131.74 165.6 23.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.054 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.724 ' HG3' HG22 ' A' ' 113' ' ' VAL . 5.3 mtt -96.99 161.76 13.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -94.1 155.03 17.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.984 0.421 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 43.4 p -86.46 -33.19 20.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -101.25 -47.66 4.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 111' ' ' GLN . 1.1 m-20 -80.56 -4.6 54.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.938 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 110' ' ' ASP . 13.6 mt-30 34.76 50.07 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.938 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -136.59 146.81 18.8 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.494 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.724 HG22 ' HG3' ' A' ' 106' ' ' MET . 40.4 t -79.43 134.26 28.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.899 0.38 . . . . 0.0 111.206 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.439 ' HD2' ' CZ ' ' A' ' 116' ' ' PHE . 10.1 ptpt -143.95 162.67 35.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 89.0 t -84.11 108.49 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.697 ' CE1' ' CG1' ' A' ' 38' ' ' VAL . 56.6 m-85 -95.93 171.0 8.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.444 ' CD1' ' CE1' ' A' ' 102' ' ' HIS . 4.9 tp -134.02 154.73 50.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.429 HD12 ' HB ' ' A' ' 101' ' ' ILE . 9.8 mt -131.34 96.26 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.184 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 33.7 t -93.79 114.0 26.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.638 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -148.3 169.1 20.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 123' ' ' LYS . 3.5 t -53.34 140.47 27.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.809 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 121' ' ' SER . 4.2 p -37.79 -31.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.863 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 121' ' ' SER . 13.2 tptm -83.65 -59.4 2.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.896 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.6 -54.17 15.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.861 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.484 ' CG2' HD11 ' A' ' 101' ' ' ILE . 24.8 m -42.37 -57.03 2.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.186 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -46.46 -44.9 16.58 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.523 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -60.71 -60.35 3.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.88 0.371 . . . . 0.0 110.916 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.594 ' CD1' HD13 ' A' ' 132' ' ' LEU . 0.2 OUTLIER -50.64 -38.88 48.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.437 ' CZ ' ' HB2' ' A' ' 95' ' ' LYS . 32.6 t80 -65.9 -53.49 38.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.03 -49.25 69.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.149 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 1.029 ' HB1' HD22 ' A' ' 56' ' ' LEU . . . -49.96 -67.25 0.28 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.113 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 1.008 HD21 HD21 ' A' ' 71' ' ' LEU . 9.2 mp -46.81 -66.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.51 ' NE2' HD21 ' A' ' 137' ' ' LEU . 11.6 t-160 -32.8 -58.52 0.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.421 ' O ' ' N ' ' A' ' 136' ' ' ILE . 2.1 t-80 -53.09 -61.69 2.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.661 ' HD3' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -37.02 -33.26 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.502 ' N ' HD13 ' A' ' 136' ' ' ILE . 2.7 mm -76.58 -51.53 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.099 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.51 HD21 ' NE2' ' A' ' 133' ' ' HIS . 20.2 mt -47.46 -37.3 11.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.75 -34.18 75.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.0 mt -82.08 -64.89 1.09 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 140' ' ' ARG . 1.3 ptm85 -45.83 -30.59 1.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.42 ' HB2' ' O ' ' A' ' 137' ' ' LEU . 37.4 t -63.56 -39.15 93.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ARG . . . . . 0.51 ' HD2' HG21 ' A' ' 66' ' ' THR . 10.2 mtp-105 -65.37 -42.09 93.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 63.4 t -52.91 -56.84 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.175 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -88.84 -179.61 6.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.936 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 81.1 p -170.22 110.55 0.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -102.71 150.63 17.98 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.489 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 103.92 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.653 2.236 . . . . 0.0 112.371 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 54.0 p -61.47 96.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.819 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 47.6 m -89.26 92.75 9.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.432 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.817 0.341 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -112.89 93.71 4.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.513 HG21 ' CD2' ' A' ' 56' ' ' LEU . 58.2 t -55.16 -74.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.497 ' O ' HD12 ' A' ' 30' ' ' LEU . 4.2 pp -139.57 135.7 33.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.828 ' CG ' HD11 ' A' ' 53' ' ' LEU . 34.7 tt0 -123.3 132.11 53.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.944 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.565 ' CE ' HD23 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -159.2 147.99 18.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -69.45 125.64 27.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.569 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.9 t -143.81 179.52 7.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.468 ' HG2' ' CB ' ' A' ' 51' ' ' ARG . 29.8 mtmt -127.6 150.74 49.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.8 tp -116.98 142.87 46.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -144.03 141.74 30.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.568 ' CG1' ' CE1' ' A' ' 116' ' ' PHE . 0.4 OUTLIER -124.97 147.93 29.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.532 ' CZ ' ' HA ' ' A' ' 44' ' ' GLN . 46.6 t80 -92.53 106.46 18.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 42' ' ' THR . 22.9 t0 -94.41 104.1 16.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.794 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 40' ' ' ASP . 0.5 OUTLIER -37.69 -29.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.466 ' N ' ' O ' ' A' ' 40' ' ' ASP . 59.2 m -57.94 -47.95 81.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.3 m -95.39 -22.18 17.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.532 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 1.4 mm-40 67.37 32.66 5.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.2 t -158.19 -178.41 7.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 62.0 m95 -76.6 121.99 23.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.1 t -109.53 138.65 36.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.055 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -60.42 117.12 4.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.471 ' NE ' ' HA ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -104.83 -51.68 3.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -175.65 126.38 1.15 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.469 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.468 ' CB ' ' HG2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -115.21 134.04 55.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.908 0.385 . . . . 0.0 110.834 -179.857 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.405 ' N ' ' CE ' ' A' ' 73' ' ' MET . . . 178.62 -132.33 1.89 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.493 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.828 HD11 ' CG ' ' A' ' 31' ' ' GLN . 53.8 tp -99.36 149.27 23.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.816 0.341 . . . . 0.0 110.914 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.757 HD12 ' O ' ' A' ' 72' ' ' VAL . 3.4 tp -138.48 131.89 30.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.96 152.52 33.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.598 HD22 ' NE ' ' A' ' 135' ' ' ARG . 2.6 tp -98.05 112.66 24.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -96.51 133.51 40.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.42 125.66 38.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.488 ' O ' ' N ' ' A' ' 68' ' ' GLN . 21.4 ptt? -124.64 159.71 30.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.812 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.3 146.07 26.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.074 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.457 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -83.99 157.01 22.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.809 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.88 -56.11 2.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -81.19 -14.24 57.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.658 ' HB3' HG22 ' A' ' 66' ' ' THR . 0.8 OUTLIER -114.23 -20.76 10.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.797 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.457 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 55.52 12.27 4.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.443 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.658 HG22 ' HB3' ' A' ' 64' ' ' ASP . 13.7 t -98.37 174.76 6.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.798 0.332 . . . . 0.0 111.17 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.551 ' C ' HD13 ' A' ' 67' ' ' LEU . 2.7 tm? -68.39 99.38 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 59' ' ' MET . 6.0 mm-40 -88.04 165.83 14.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.7 m -142.94 162.25 35.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -152.74 170.99 18.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.603 HD13 HD13 ' A' ' 103' ' ' ILE . 6.5 mt -109.31 116.1 31.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.95 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.757 ' O ' HD12 ' A' ' 54' ' ' LEU . 2.2 t -118.32 147.02 22.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.091 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.466 ' HG3' HD11 ' A' ' 82' ' ' ILE . 8.8 tpt -147.54 107.84 4.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.825 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.43 ' NH1' ' O ' ' A' ' 79' ' ' LEU . 44.6 mtt-85 -98.68 136.47 38.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 46.1 p -70.13 168.16 16.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.184 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.467 ' CD ' ' N ' ' A' ' 77' ' ' GLY . 3.7 pp0? -81.29 -29.04 34.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.467 ' N ' ' CD ' ' A' ' 76' ' ' GLN . . . -63.43 -99.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 80' ' ' ARG . 3.6 m -97.32 39.69 1.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.898 0.38 . . . . 0.0 110.866 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.43 ' O ' ' NH1' ' A' ' 74' ' ' ARG . 9.7 mp 36.49 30.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 78' ' ' SER . 1.5 ptp180 -65.2 144.84 56.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.623 HD11 ' O ' ' A' ' 83' ' ' LEU . 0.1 OUTLIER -92.84 129.74 38.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.666 HD13 ' H ' ' A' ' 82' ' ' ILE . 0.3 OUTLIER -125.55 -21.08 2.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.834 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.623 ' O ' HD11 ' A' ' 81' ' ' LEU . 3.2 tp -127.47 118.12 23.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.9 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -149.34 104.91 3.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.946 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.662 HG21 ' HB1' ' A' ' 105' ' ' ALA . 11.1 t -143.25 147.86 35.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.469 ' HD2' ' NE2' ' A' ' 68' ' ' GLN . 12.7 ttpt -93.57 118.66 31.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.704 HD23 ' HE2' ' A' ' 91' ' ' MET . 4.3 mt -55.74 153.0 8.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.836 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.586 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 48.8 p90 -137.24 155.49 49.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -47.9 -46.79 32.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.586 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 55.9 mm-40 -83.42 29.67 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.704 ' HE2' HD23 ' A' ' 87' ' ' LEU . 3.7 tpp -70.41 140.93 52.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.817 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -100.52 118.88 37.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.484 ' CD1' ' HB2' ' A' ' 132' ' ' LEU . 1.2 tt -153.85 118.9 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -130.3 147.41 52.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 17.0 tptm -86.91 98.02 11.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.87 -39.65 76.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 69.5 m -154.62 175.14 14.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -78.9 2.37 20.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.2 mtmm -130.25 -31.46 1.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.832 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 60.0 p -113.32 150.45 32.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.916 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.962 HD12 HD11 ' A' ' 128' ' ' LEU . 8.5 mt -139.12 149.93 23.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.194 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.591 ' CD2' HD12 ' A' ' 117' ' ' LEU . 9.7 m170 -113.35 104.7 12.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.603 HD13 HD13 ' A' ' 71' ' ' LEU . 1.1 pp -123.25 141.71 42.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.449 ' O ' ' HE1' ' A' ' 91' ' ' MET . 61.6 p -96.21 128.84 43.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.662 ' HB1' HG21 ' A' ' 85' ' ' THR . . . -142.78 170.84 14.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.629 ' HG3' HG22 ' A' ' 113' ' ' VAL . 31.6 mtm -113.67 136.27 53.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.475 ' HB2' ' CE ' ' A' ' 114' ' ' LYS . 16.9 t70 -68.51 173.0 5.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 31.1 p -89.38 -35.89 15.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.076 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -96.33 -55.44 2.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.835 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -65.44 -24.12 67.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 46.22 35.33 2.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -116.28 145.24 18.67 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.515 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.629 HG22 ' HG3' ' A' ' 106' ' ' MET . 39.4 t -79.89 117.85 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.886 0.374 . . . . 0.0 111.216 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.496 ' HG3' ' CE2' ' A' ' 116' ' ' PHE . 2.2 pttt -132.12 163.0 29.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 57.5 t -82.13 108.17 14.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.079 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.574 ' CD2' ' HB3' ' A' ' 105' ' ' ALA . 60.9 m-85 -95.99 157.59 15.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.591 HD12 ' CD2' ' A' ' 102' ' ' HIS . 4.2 tp -123.66 155.57 37.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.543 HG21 HD22 ' A' ' 128' ' ' LEU . 16.2 mt -134.49 106.66 8.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 34.7 t -99.83 123.05 43.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.569 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -157.52 169.92 23.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.147 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 6.1 t -54.91 153.88 5.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.859 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 51.6 p -48.74 -26.94 2.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.844 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -87.98 -61.38 1.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.947 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -48.31 -49.13 35.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 31.4 m -49.03 -46.3 43.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -65.7 -34.99 90.44 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.483 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -60.5 -66.73 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.767 0.318 . . . . 0.0 110.89 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.962 HD11 HD12 ' A' ' 101' ' ' ILE . 3.1 pp -49.93 -43.2 49.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.607 ' N ' HD12 ' A' ' 128' ' ' LEU . 35.9 t80 -61.19 -53.71 53.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -51.57 -19.52 1.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.126 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.456 ' HB3' HH21 ' A' ' 135' ' ' ARG . . . -85.89 -60.42 2.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.068 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.933 HD23 ' CZ ' ' A' ' 135' ' ' ARG . 46.1 mt -39.05 -65.56 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.467 ' C ' ' O ' ' A' ' 132' ' ' LEU . 2.5 t-160 -32.48 -65.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.702 ' HA ' HD12 ' A' ' 137' ' ' LEU . 75.0 t60 -47.44 -56.64 6.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.933 ' CZ ' HD23 ' A' ' 132' ' ' LEU . 58.9 mtt180 -37.27 -31.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.569 HG22 ' HD2' ' A' ' 140' ' ' ARG . 3.8 mp -92.01 -44.75 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.702 HD12 ' HA ' ' A' ' 134' ' ' HIS . 20.4 mt -50.8 -31.92 18.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -72.6 -29.01 63.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.055 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 3.1 mt -81.2 -46.19 15.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.884 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.569 ' HD2' HG22 ' A' ' 136' ' ' ILE . 4.6 mtp180 -63.2 -22.21 66.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 2.0 m -77.31 -17.07 58.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 8.3 mtt85 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.827 -179.943 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.868 0.366 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -110.29 90.7 3.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.585 HG21 ' CD2' ' A' ' 56' ' ' LEU . 6.4 t -58.68 -70.61 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.43 ' O ' HD12 ' A' ' 30' ' ' LEU . 4.5 pp -139.45 144.2 37.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.892 ' CG ' HD11 ' A' ' 53' ' ' LEU . 34.0 tt0 -134.74 128.04 32.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.426 ' HE1' ' CB ' ' A' ' 120' ' ' ALA . 0.1 OUTLIER -156.6 138.49 14.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -62.43 133.06 54.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.783 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.6 t -146.19 174.85 10.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 41.1 mtpt -120.99 128.45 52.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.5 tp -101.95 125.25 48.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -115.86 134.26 55.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.4 p -110.64 137.65 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.099 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -90.41 121.33 32.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 42' ' ' THR . 51.4 t0 -108.38 96.11 6.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -38.09 -27.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 40' ' ' ASP . 29.4 m -60.73 -49.01 79.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.075 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.0 m -92.83 -25.36 18.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 67.98 36.46 3.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.0 m -150.08 168.02 25.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.81 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.421 ' CZ2' HD13 ' A' ' 117' ' ' LEU . 79.6 m95 -78.35 106.93 10.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.963 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 94.2 t -105.54 137.49 35.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.117 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.35 134.46 53.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.58 -37.52 3.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -177.76 121.55 0.78 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -116.72 141.14 48.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.909 0.385 . . . . 0.0 110.87 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 168.02 -118.53 0.79 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.546 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.892 HD11 ' CG ' ' A' ' 31' ' ' GLN . 45.3 tp -112.74 150.51 31.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.87 0.366 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.6 HD12 ' O ' ' A' ' 72' ' ' VAL . 4.0 tp -141.69 132.18 25.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.952 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.2 152.75 33.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.776 HD22 ' HB1' ' A' ' 131' ' ' ALA . 4.7 tp -89.72 114.25 25.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -94.12 123.23 37.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.923 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -96.36 139.63 32.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.495 ' O ' ' N ' ' A' ' 68' ' ' GLN . 16.5 ptt? -147.73 160.72 42.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -91.69 145.11 24.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.467 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.7 OUTLIER -82.73 154.32 24.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.899 -179.817 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.41 -54.64 2.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.193 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -83.62 -7.26 59.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.401 ' HB2' HG22 ' A' ' 66' ' ' THR . 4.2 m-20 -121.53 -21.12 6.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.467 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 56.79 10.55 4.75 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.491 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.419 HG21 ' HD2' ' A' ' 142' ' ' ARG . 9.2 t -95.8 172.67 7.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.801 0.334 . . . . 0.0 111.159 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.412 ' C ' HD13 ' A' ' 67' ' ' LEU . 2.6 tm? -68.87 99.72 1.09 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 59' ' ' MET . 7.3 mm-40 -84.63 169.21 14.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.41 ' HB2' HD12 ' A' ' 87' ' ' LEU . 48.9 m -157.84 163.73 37.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -149.8 171.47 16.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 1.018 HD21 HD21 ' A' ' 132' ' ' LEU . 11.8 mt -113.47 111.09 21.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.981 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.6 ' O ' HD12 ' A' ' 54' ' ' LEU . 2.3 t -113.4 147.11 17.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.491 ' O ' HD13 ' A' ' 82' ' ' ILE . 13.7 tpt -148.36 105.83 3.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.9 mtt-85 -92.98 144.19 25.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.572 HG23 HD12 ' A' ' 82' ' ' ILE . 9.3 p -88.66 144.94 25.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -59.99 133.55 56.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 112.76 -97.01 0.86 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.485 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.2 m -88.73 17.57 5.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.35 . . . . 0.0 110.76 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.4 mp 41.07 33.94 0.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.939 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 18.6 ttt180 -61.56 138.85 58.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.685 HD11 ' O ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -91.8 134.65 34.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.901 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.671 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -129.01 -28.03 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.685 ' O ' HD11 ' A' ' 81' ' ' LEU . 4.9 tp -121.76 128.49 51.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.955 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.589 ' OD1' HG22 ' A' ' 108' ' ' THR . 1.2 p30 -161.97 105.69 1.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.9 t -145.28 139.55 27.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.167 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.467 ' HD2' ' NE2' ' A' ' 68' ' ' GLN . 4.8 ttpm? -80.17 123.14 27.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.986 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.677 HD23 ' HE2' ' A' ' 91' ' ' MET . 21.3 mt -56.99 141.13 46.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.579 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 46.5 p90 -122.59 158.96 28.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.822 ' HB1' ' HA ' ' A' ' 140' ' ' ARG . . . -52.75 -44.55 66.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.095 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.579 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 47.7 mm-40 -84.05 32.3 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.677 ' HE2' HD23 ' A' ' 87' ' ' LEU . 1.3 tpp -72.37 132.01 43.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -98.4 117.11 32.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.471 HG13 HG22 ' A' ' 103' ' ' ILE . 1.3 tt -151.79 124.71 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -142.2 145.62 34.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.493 ' HD3' ' CD2' ' A' ' 129' ' ' TYR . 11.7 tptm -75.83 93.84 3.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.508 ' CB ' ' CD2' ' A' ' 102' ' ' HIS . . . -65.37 -29.55 70.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.099 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.9 t -162.54 174.21 12.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.466 ' CG ' ' HB2' ' A' ' 122' ' ' SER . 5.2 tt0 -73.27 -23.0 60.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -122.3 15.4 10.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.965 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.4 m -151.01 140.74 21.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.751 ' HB ' HD12 ' A' ' 118' ' ' ILE . 5.8 mt -131.19 151.87 36.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.167 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.685 ' CD2' HD12 ' A' ' 117' ' ' LEU . 10.7 m170 -118.0 103.58 10.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.819 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.492 HD13 HD13 ' A' ' 71' ' ' LEU . 1.6 pp -122.7 144.84 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.405 ' O ' ' HE1' ' A' ' 91' ' ' MET . 31.4 p -97.44 126.23 42.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.098 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -140.58 159.0 43.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.667 ' HG3' HG22 ' A' ' 113' ' ' VAL . 27.8 mtt -85.91 157.83 20.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -100.71 153.37 19.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.589 HG22 ' OD1' ' A' ' 84' ' ' ASN . 40.9 p -76.97 -34.95 57.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.219 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -99.33 -56.31 2.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -64.34 -13.02 47.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 39.41 35.99 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.951 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -130.52 153.94 20.43 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.446 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.667 HG22 ' HG3' ' A' ' 106' ' ' MET . 61.6 t -86.57 119.84 35.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.938 0.399 . . . . 0.0 111.097 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 9.9 ptpt -127.79 175.18 8.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 72.7 t -96.04 108.98 21.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.166 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -96.88 174.37 6.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.685 HD12 ' CD2' ' A' ' 102' ' ' HIS . 3.7 tp -134.12 157.16 46.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.905 HG21 HD11 ' A' ' 128' ' ' LEU . 5.9 mt -134.25 99.14 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.094 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 26.6 t -93.87 121.47 35.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.783 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -156.82 174.35 15.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 123' ' ' LYS . 6.5 t -60.16 141.41 55.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.817 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.466 ' HB2' ' CG ' ' A' ' 98' ' ' GLU . 53.2 p -41.13 -26.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.822 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 121' ' ' SER . 0.8 OUTLIER -83.47 -61.0 1.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -53.83 -51.36 63.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.878 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.401 ' O ' HD11 ' A' ' 101' ' ' ILE . 99.8 m -43.19 -40.9 3.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.169 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -75.91 -30.8 57.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.476 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -60.98 -69.25 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.883 0.373 . . . . 0.0 110.951 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.905 HD11 HG21 ' A' ' 118' ' ' ILE . 1.3 pt? -54.27 -38.63 66.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.939 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.493 ' CD2' ' HD3' ' A' ' 95' ' ' LYS . 22.9 t80 -55.57 -59.83 4.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -50.55 -35.08 28.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.134 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.776 ' HB1' HD22 ' A' ' 56' ' ' LEU . . . -64.88 -70.19 0.24 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 1.018 HD21 HD21 ' A' ' 71' ' ' LEU . 6.9 mp -37.91 -70.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.945 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.552 ' NE2' HD21 ' A' ' 137' ' ' LEU . 11.1 t-80 -32.75 -68.52 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.714 ' HA ' HD12 ' A' ' 137' ' ' LEU . 5.1 t60 -43.33 -59.76 1.97 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.475 ' NE ' HD21 ' A' ' 56' ' ' LEU . 11.6 mmt180 -40.07 -37.88 0.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.619 HD11 HD22 ' A' ' 87' ' ' LEU . 3.1 mm -72.32 -51.35 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.083 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.714 HD12 ' HA ' ' A' ' 134' ' ' HIS . 40.7 mt -37.7 -31.39 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 136' ' ' ILE . . . -70.16 -43.26 71.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.104 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.52 ' N ' HD23 ' A' ' 139' ' ' LEU . 2.3 mt -74.66 -53.98 8.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.822 ' HA ' ' HB1' ' A' ' 89' ' ' ALA . 7.1 ptp180 -58.57 -11.2 2.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 31.3 t -88.75 -18.7 27.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . 0.419 ' HD2' HG21 ' A' ' 66' ' ' THR . 38.0 mtp85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.933 0.397 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -108.02 118.54 37.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.765 HG21 HD23 ' A' ' 56' ' ' LEU . 1.8 m -94.74 -39.15 9.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.142 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.574 ' C ' HD12 ' A' ' 30' ' ' LEU . 2.8 pp -156.73 137.79 13.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.97 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.87 ' CG ' HD11 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -131.73 147.44 52.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.422 ' N ' ' HG2' ' A' ' 31' ' ' GLN . 3.4 ptt? -169.19 129.35 1.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -61.39 117.05 5.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.982 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.767 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 2.6 t -136.14 174.03 11.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.464 ' HG3' ' CB ' ' A' ' 51' ' ' ARG . 26.9 tttt -113.44 149.34 34.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 tp -119.39 137.28 53.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.437 ' CE1' ' HE2' ' A' ' 35' ' ' LYS . 83.5 m-85 -132.1 162.25 31.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.784 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.607 ' CG1' ' CE1' ' A' ' 116' ' ' PHE . 2.5 m -146.35 138.0 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.135 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.562 ' CZ ' ' C ' ' A' ' 44' ' ' GLN . 20.2 t80 -82.99 110.7 18.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 42' ' ' THR . 36.4 t0 -100.11 104.63 16.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.488 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -33.87 -35.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.949 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 40' ' ' ASP . 19.5 m -54.81 -50.77 67.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 40' ' ' ASP . 17.4 m -89.51 -24.76 21.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.562 ' C ' ' CZ ' ' A' ' 39' ' ' PHE . 1.3 mm-40 69.37 25.7 5.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.9 t -155.36 -177.14 6.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 76.7 m95 -73.0 137.54 45.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.972 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.9 t -130.0 144.58 37.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.074 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 64.7 tt0 -68.68 113.88 6.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.801 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.53 ' HB2' HG22 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -99.69 -56.77 2.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.877 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -164.86 121.26 0.99 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.477 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.464 ' CB ' ' HG3' ' A' ' 35' ' ' LYS . 23.2 ptt180 -113.32 151.96 30.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.931 0.396 . . . . 0.0 110.835 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 161.07 -130.26 2.31 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.491 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.87 HD11 ' CG ' ' A' ' 31' ' ' GLN . 50.1 tp -97.88 132.17 43.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.824 0.345 . . . . 0.0 110.874 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.99 HD21 HD11 ' A' ' 128' ' ' LEU . 4.6 tp -122.19 130.52 53.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -151.15 151.7 32.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.821 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.765 HD23 HG21 ' A' ' 29' ' ' VAL . 4.4 tp -90.07 139.44 30.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.44 ' C ' ' OD1' ' A' ' 57' ' ' ASN . 22.5 t-20 -116.42 121.06 40.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -95.19 131.25 41.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.5 ' O ' ' N ' ' A' ' 68' ' ' GLN . 20.4 ptt? -137.15 160.67 38.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.797 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -89.76 145.06 25.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.062 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.466 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -83.01 153.38 24.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.8 -179.776 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.27 -58.89 1.86 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.177 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -79.62 -7.47 58.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -119.75 -24.77 6.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.466 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 60.56 7.42 7.71 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.534 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.8 t -91.96 174.69 7.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 0.0 111.169 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.448 ' C ' HD13 ' A' ' 67' ' ' LEU . 3.2 tm? -71.67 99.84 2.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 59' ' ' MET . 7.9 mm-40 -85.59 169.72 13.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.4 m -154.9 168.3 27.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -155.85 165.94 34.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.633 HD13 HD13 ' A' ' 103' ' ' ILE . 11.0 mt -107.04 118.32 36.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.486 HG13 HD21 ' A' ' 81' ' ' LEU . 2.2 t -117.61 147.24 21.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 6.8 tpt -144.1 115.74 8.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 53' ' ' LEU . 97.6 mtt180 -103.05 134.08 47.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.632 HG23 HD12 ' A' ' 82' ' ' ILE . 4.2 p -76.48 158.47 31.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -82.78 -37.2 24.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -54.38 -31.93 51.51 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.455 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.7 m -172.26 164.74 5.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.923 0.392 . . . . 0.0 110.878 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -74.07 62.31 0.89 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 17.3 ttt180 -114.55 137.94 51.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.655 HD13 ' N ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -93.58 137.38 32.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.655 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -127.61 -27.07 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.829 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.569 ' O ' HD11 ' A' ' 81' ' ' LEU . 3.1 tp -126.05 114.79 18.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -147.55 105.06 3.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.3 t -146.38 144.93 30.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.111 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.452 ' HD2' ' NE2' ' A' ' 68' ' ' GLN . 10.5 ttpt -88.22 121.36 30.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.753 HD23 ' CE ' ' A' ' 91' ' ' MET . 6.8 mt -56.92 159.55 4.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.935 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.565 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 42.5 p90 -141.51 158.86 43.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.969 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.98 -45.23 64.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.565 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 50.7 mm-40 -84.37 31.95 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.753 ' CE ' HD23 ' A' ' 87' ' ' LEU . 6.2 tpp -70.85 139.63 50.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -97.58 111.66 23.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.402 HD12 ' CD2' ' A' ' 132' ' ' LEU . 1.5 tt -148.02 127.49 4.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.183 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -141.07 145.61 36.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.9 tptm -82.4 98.22 8.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.0 -28.39 63.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.4 t -169.78 170.23 7.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.876 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -75.28 -2.91 30.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -132.94 16.58 4.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 83.7 p -160.36 140.58 11.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.429 HD11 ' O ' ' A' ' 125' ' ' THR . 9.1 mt -130.48 144.66 37.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.169 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.638 ' CD2' HD12 ' A' ' 117' ' ' LEU . 13.0 m170 -109.57 103.54 12.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.633 HD13 HD13 ' A' ' 71' ' ' LEU . 1.1 pp -120.42 151.02 23.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 38.0 p -106.12 124.96 50.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.139 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.48 ' HB3' ' CD2' ' A' ' 116' ' ' PHE . . . -140.52 167.67 21.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.202 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.717 ' HG3' HG22 ' A' ' 113' ' ' VAL . 14.3 mtt -100.36 159.16 15.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.852 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -96.82 164.06 12.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 66.3 p -86.85 -36.76 18.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.229 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -100.6 -38.55 8.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.8 -26.57 44.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 49.33 44.62 23.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -136.55 141.94 13.04 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.717 HG22 ' HG3' ' A' ' 106' ' ' MET . 31.2 t -77.49 108.7 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.854 0.359 . . . . 0.0 111.171 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.493 ' HG3' ' CE2' ' A' ' 116' ' ' PHE . 3.3 ptpt -119.23 162.81 18.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 48.6 t -81.76 106.96 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.607 ' CE1' ' CG1' ' A' ' 38' ' ' VAL . 64.0 m-85 -96.21 149.24 21.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.638 HD12 ' CD2' ' A' ' 102' ' ' HIS . 5.0 tp -116.37 155.02 29.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.413 ' CG2' ' SG ' ' A' ' 34' ' ' CYS . 36.9 mt -128.73 98.78 4.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 31.5 t -88.67 108.8 19.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.862 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.767 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -144.5 169.06 18.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 19.0 t -63.47 161.07 15.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.4 p -49.59 -42.51 44.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -71.86 -61.59 1.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 127' ' ' GLN . 3.9 m-20 -50.18 -60.27 3.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.88 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.429 ' O ' HD11 ' A' ' 101' ' ' ILE . 87.4 m -35.66 -42.07 0.23 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.169 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -63.26 -41.47 99.56 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.417 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' A' ' 124' ' ' ASP . 1.7 mm-40 -50.64 -61.73 2.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.816 0.341 . . . . 0.0 110.884 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.99 HD11 HD21 ' A' ' 54' ' ' LEU . 0.4 OUTLIER -50.58 -70.32 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -37.44 -63.13 0.47 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.99 -44.24 4.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.148 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.427 ' HB3' HH21 ' A' ' 135' ' ' ARG . . . -68.31 -62.5 1.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.114 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.557 ' CD2' HG21 ' A' ' 103' ' ' ILE . 4.0 mp -38.19 -67.26 0.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.452 ' C ' ' O ' ' A' ' 132' ' ' LEU . 4.1 t-160 -34.01 -62.53 0.31 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.865 ' HA ' HD12 ' A' ' 137' ' ' LEU . 26.5 t60 -48.65 -54.6 14.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.557 ' HD3' HD13 ' A' ' 56' ' ' LEU . 53.0 mtt180 -41.04 -27.59 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.575 HD12 ' N ' ' A' ' 136' ' ' ILE . 3.5 mp -94.07 -45.36 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.865 HD12 ' HA ' ' A' ' 134' ' ' HIS . 13.6 mt -50.01 -35.68 25.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.412 ' O ' ' CG ' ' A' ' 142' ' ' ARG . . . -66.43 -26.29 67.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.41 ' N ' HD23 ' A' ' 139' ' ' LEU . 1.0 OUTLIER -90.01 -56.77 3.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.571 ' HD2' HD23 ' A' ' 137' ' ' LEU . 4.3 ptp180 -57.57 -23.24 49.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 41.9 t -74.18 -28.73 61.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.833 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . 0.436 ' NH1' ' HB3' ' A' ' 142' ' ' ARG . 1.8 mtp-105 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.5 t . . . . . 0 C--O 1.23 0.039 0 CA-C-O 120.915 0.388 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -119.8 107.57 13.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.937 HG11 HD23 ' A' ' 56' ' ' LEU . 7.4 p -92.37 -32.74 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.438 ' C ' HD12 ' A' ' 30' ' ' LEU . 1.2 pp -165.36 134.15 3.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.83 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.957 ' CG ' HD11 ' A' ' 53' ' ' LEU . 16.2 tt0 -132.71 136.62 46.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.517 ' HE2' HD23 ' A' ' 128' ' ' LEU . 4.0 ptt? -161.32 138.64 8.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.445 ' OE1' HD13 ' A' ' 53' ' ' LEU . 3.2 mm100 -70.75 116.83 11.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.764 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.8 t -130.65 179.43 5.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.467 ' HD2' ' CZ ' ' A' ' 37' ' ' PHE . 17.7 ttmt -113.59 144.64 42.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.8 tp -123.26 123.83 41.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.467 ' CZ ' ' HD2' ' A' ' 35' ' ' LYS . 69.1 m-85 -115.87 156.17 26.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.472 ' CG2' ' HD3' ' A' ' 114' ' ' LYS . 3.0 p -139.87 135.47 38.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.452 ' CZ ' ' HA ' ' A' ' 44' ' ' GLN . 28.7 t80 -65.07 136.48 56.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.417 ' C ' ' N ' ' A' ' 42' ' ' THR . 9.9 t0 -125.3 102.0 7.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.912 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.3 -22.83 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.417 ' N ' ' C ' ' A' ' 40' ' ' ASP . 26.0 m -56.39 -50.01 72.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 44' ' ' GLN . 14.3 m -118.97 20.51 12.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.452 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 1.4 mm-40 36.86 43.03 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.965 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.6 t -150.37 174.41 12.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 54.3 m95 -75.72 138.9 41.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 66.5 t -130.51 143.2 41.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -55.5 116.66 3.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.86 -51.75 3.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.4 ' O ' ' HE2' ' A' ' 73' ' ' MET . . . -170.34 103.16 0.19 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.526 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -103.36 137.94 40.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.844 0.355 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.558 ' N ' ' CE ' ' A' ' 73' ' ' MET . . . 167.28 -136.62 4.21 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.464 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.957 HD11 ' CG ' ' A' ' 31' ' ' GLN . 18.3 tp -83.34 135.06 34.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.895 0.379 . . . . 0.0 110.951 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.621 HD12 ' O ' ' A' ' 72' ' ' VAL . 4.7 tp -132.36 134.08 44.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.4 ptt180 -151.21 155.07 38.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 1.059 HD22 ' HB1' ' A' ' 131' ' ' ALA . 2.8 tp -97.13 109.57 22.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.958 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -92.26 132.95 36.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -102.35 126.83 49.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.514 ' O ' ' N ' ' A' ' 68' ' ' GLN . 19.9 ptt? -127.31 157.83 38.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.05 150.38 20.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.076 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.486 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 1.1 t -86.28 155.11 20.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.487 ' OG1' ' N ' ' A' ' 63' ' ' ASP . 0.8 OUTLIER -98.76 -60.62 1.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.172 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.487 ' N ' ' OG1' ' A' ' 62' ' ' THR . 0.6 OUTLIER -76.71 -20.53 56.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 179.855 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -105.9 -23.99 12.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.486 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 60.06 7.0 6.08 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.6 t -88.57 175.35 7.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.785 0.326 . . . . 0.0 111.2 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.564 ' C ' HD13 ' A' ' 67' ' ' LEU . 3.5 tm? -73.35 99.76 3.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.514 ' N ' ' O ' ' A' ' 59' ' ' MET . 3.7 mm100 -81.9 165.99 20.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.953 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.484 ' CB ' HD12 ' A' ' 87' ' ' LEU . 38.2 m -155.24 156.11 35.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -147.22 166.66 26.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.577 HD13 HD13 ' A' ' 103' ' ' ILE . 3.0 mt -108.38 113.91 27.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.621 ' O ' HD12 ' A' ' 54' ' ' LEU . 2.2 t -111.69 145.45 17.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.558 ' CE ' ' N ' ' A' ' 52' ' ' GLY . 12.2 tpt -143.56 106.48 4.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.447 ' HD3' ' CD2' ' A' ' 79' ' ' LEU . 72.0 mtt-85 -92.07 127.82 37.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.848 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.486 HG23 HD12 ' A' ' 82' ' ' ILE . 17.2 p -70.53 158.84 35.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.425 ' CD ' ' O ' ' A' ' 76' ' ' GLN . 0.0 OUTLIER -81.84 40.08 0.59 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.932 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -122.59 -95.29 1.25 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.5 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 57.8 m -128.94 64.7 1.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 0.0 110.871 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.447 ' CD2' ' HD3' ' A' ' 74' ' ' ARG . 15.1 mt 40.77 51.43 3.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -96.13 102.01 13.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.819 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.637 HD11 ' O ' ' A' ' 83' ' ' LEU . 0.1 OUTLIER -67.91 132.23 46.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.937 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.65 HD13 ' H ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -126.68 -21.83 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.053 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.637 ' O ' HD11 ' A' ' 81' ' ' LEU . 4.3 tp -130.37 120.8 24.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.944 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -153.27 104.98 2.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.0 t -142.98 154.11 43.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.103 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.407 ' HD2' ' C ' ' A' ' 86' ' ' LYS . 1.0 OUTLIER -92.76 128.82 38.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 179.867 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.666 HD22 ' SD ' ' A' ' 91' ' ' MET . 12.6 mt -67.84 138.52 56.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.596 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 49.4 p90 -118.95 156.81 28.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.43 -43.83 62.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.117 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.596 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 21.4 mm-40 -83.72 31.51 0.48 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.666 ' SD ' HD22 ' A' ' 87' ' ' LEU . 1.7 ttm -70.01 139.29 52.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.828 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -103.66 113.96 27.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.0 tt -150.26 115.68 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.113 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -128.27 140.58 51.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 10.6 tptm -75.1 93.73 2.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.77 -40.17 88.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.152 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.7 m -147.97 167.38 25.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -71.04 -10.25 59.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -124.76 -21.09 4.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.4 m -113.39 152.3 30.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.892 ' CD1' HD11 ' A' ' 128' ' ' LEU . 3.3 mt -140.14 151.49 21.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.141 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.497 ' CD2' HD12 ' A' ' 117' ' ' LEU . 11.6 m-70 -120.38 103.18 8.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.577 HD13 HD13 ' A' ' 71' ' ' LEU . 1.2 pp -117.85 150.44 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.145 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 13.7 p -101.59 124.57 47.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -140.8 171.92 13.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.079 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.782 ' HG3' HG22 ' A' ' 113' ' ' VAL . 19.6 mtt -99.26 168.98 9.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -105.18 168.88 8.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 23.3 p -94.5 -39.75 10.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.157 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -101.31 -44.73 5.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -73.93 -10.9 60.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 38.92 43.79 0.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -128.65 154.98 20.34 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.782 HG22 ' HG3' ' A' ' 106' ' ' MET . 45.7 t -88.88 102.06 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.862 0.363 . . . . 0.0 111.135 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.534 ' HG3' ' CZ ' ' A' ' 116' ' ' PHE . 5.1 ptpt -118.27 149.45 41.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.429 ' O ' HG13 ' A' ' 115' ' ' VAL . 4.6 p -90.4 117.1 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.108 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.534 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 82.8 m-85 -95.92 176.91 5.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.839 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.497 HD12 ' CD2' ' A' ' 102' ' ' HIS . 3.7 tp -123.88 154.61 39.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.868 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.63 HG22 ' SG ' ' A' ' 34' ' ' CYS . 5.4 mt -135.0 102.39 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 46.0 t -98.11 125.3 43.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.764 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -155.29 172.78 17.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 123' ' ' LYS . 3.2 t -54.43 138.77 39.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.813 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 121' ' ' SER . 7.0 p -36.3 -33.61 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.837 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 121' ' ' SER . 48.5 tptt -84.49 -59.59 2.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.407 ' HB3' ' CE ' ' A' ' 32' ' ' MET . 1.1 m-20 -45.6 -55.19 6.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.878 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.552 HG23 HD11 ' A' ' 101' ' ' ILE . 3.4 m -42.33 -29.1 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -76.64 -38.8 31.24 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.448 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -51.72 -69.42 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.843 0.354 . . . . 0.0 110.924 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.975 HD12 ' N ' ' A' ' 129' ' ' TYR . 3.1 pp -55.34 -43.77 75.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.975 ' N ' HD12 ' A' ' 128' ' ' LEU . 22.5 t80 -50.56 -55.27 16.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.02 -21.04 58.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 1.059 ' HB1' HD22 ' A' ' 56' ' ' LEU . . . -78.48 -55.29 5.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.502 HD21 HD21 ' A' ' 71' ' ' LEU . 10.4 mp -53.76 -70.9 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.957 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 132' ' ' LEU . 8.5 t-160 -34.9 -62.05 0.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -43.04 -61.42 1.31 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.739 ' CZ ' HD21 ' A' ' 56' ' ' LEU . 1.4 mpt_? -39.92 -40.89 1.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.481 ' N ' HD13 ' A' ' 136' ' ' ILE . 3.0 mm -68.45 -53.35 28.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.077 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.498 ' HA ' ' CG ' ' A' ' 140' ' ' ARG . 30.5 mt -44.88 -40.85 6.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.08 -36.67 80.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.54 ' N ' HD23 ' A' ' 139' ' ' LEU . 1.8 mt -77.56 -59.72 2.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.498 ' CG ' ' HA ' ' A' ' 137' ' ' LEU . 5.5 ptm180 -54.33 -15.52 1.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 43.6 t -77.21 -27.14 53.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . 0.435 ' NH1' ' HB3' ' A' ' 142' ' ' ARG . 6.5 mtp-105 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.929 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.871 0.367 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -102.18 86.92 2.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.402 ' CG1' HD23 ' A' ' 56' ' ' LEU . 64.7 t -48.68 -69.58 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.519 HD21 ' HB2' ' A' ' 131' ' ' ALA . 4.5 pp -143.76 140.01 29.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.981 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.729 ' HG2' HD11 ' A' ' 53' ' ' LEU . 11.9 tt0 -125.58 129.18 49.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -154.12 136.12 14.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -60.22 127.19 30.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.586 ' SG ' HG23 ' A' ' 118' ' ' ILE . 5.1 t -146.73 170.83 16.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt -120.1 130.28 54.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.4 tp -96.28 128.63 43.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -119.49 144.67 46.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.438 ' O ' HG13 ' A' ' 38' ' ' VAL . 11.9 p -124.85 127.47 72.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.074 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.542 ' HB2' ' CZ3' ' A' ' 46' ' ' TRP . 6.2 t80 -70.21 130.06 41.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.503 ' O ' ' N ' ' A' ' 42' ' ' THR . 31.3 t0 -114.93 90.9 3.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.828 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.533 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -33.21 -34.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.986 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.503 ' N ' ' O ' ' A' ' 40' ' ' ASP . 51.3 m -43.8 -49.38 8.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.184 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 44' ' ' GLN . 13.2 m -116.18 19.13 15.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.812 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.501 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 1.8 mm-40 38.03 48.38 1.06 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.4 m -154.89 171.79 19.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.542 ' CZ3' ' HB2' ' A' ' 39' ' ' PHE . 55.6 m95 -78.12 140.44 39.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 83.3 t -128.69 143.21 41.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -60.88 121.27 11.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.79 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.444 ' NH2' ' OD1' ' A' ' 107' ' ' ASP . 0.0 OUTLIER -109.32 -39.95 5.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.847 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 171.96 112.63 0.28 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.515 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.2 ptt-85 -108.66 148.82 29.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.845 0.355 . . . . 0.0 110.898 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.443 ' N ' ' CE ' ' A' ' 73' ' ' MET . . . 177.19 -111.09 0.32 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.502 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.729 HD11 ' HG2' ' A' ' 31' ' ' GLN . 28.1 tp -127.76 111.12 13.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.834 0.349 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.794 HD12 ' O ' ' A' ' 72' ' ' VAL . 5.5 tp -92.65 143.93 25.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.507 ' HG2' ' CG2' ' A' ' 72' ' ' VAL . 10.4 ptt-85 -149.16 156.89 42.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.984 HD22 ' HB1' ' A' ' 131' ' ' ALA . 2.8 tp -112.99 106.77 15.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 34.5 p-10 -95.17 155.72 16.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.444 ' OD2' ' NH2' ' A' ' 135' ' ' ARG . 33.0 m-20 -122.22 138.51 54.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.5 ' O ' ' N ' ' A' ' 68' ' ' GLN . 20.6 ptt? -140.26 155.52 46.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.32 153.34 29.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.467 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -87.78 150.12 23.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.806 -179.79 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.8 t -98.75 -45.39 6.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.069 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -89.53 -8.56 52.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.514 ' HB3' HG22 ' A' ' 66' ' ' THR . 4.2 t0 -122.73 -19.85 6.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.467 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 59.97 7.59 6.91 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.478 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.514 HG22 ' HB3' ' A' ' 64' ' ' ASP . 8.8 t -96.91 175.04 6.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.819 0.343 . . . . 0.0 111.144 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.614 ' C ' HD13 ' A' ' 67' ' ' LEU . 2.7 tm? -66.98 105.08 1.53 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 59' ' ' MET . 5.0 mm-40 -92.7 161.24 14.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.49 ' CB ' HD12 ' A' ' 87' ' ' LEU . 14.7 m -128.09 161.6 28.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.4 ttm180 -152.06 144.54 24.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.438 ' CD1' HD21 ' A' ' 87' ' ' LEU . 8.8 mt -94.61 153.31 17.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.794 ' O ' HD12 ' A' ' 54' ' ' LEU . 0.9 OUTLIER -154.68 152.11 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.103 179.817 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.474 ' O ' HD13 ' A' ' 82' ' ' ILE . 8.9 tpt -155.35 106.36 2.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.867 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.435 ' HG3' ' NH1' ' A' ' 55' ' ' ARG . 44.8 mtm180 -97.17 140.72 31.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.492 HG23 HD12 ' A' ' 82' ' ' ILE . 18.9 p -79.0 156.19 28.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -78.06 157.86 29.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.74 -60.75 4.35 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.416 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 80' ' ' ARG . 34.4 t -117.48 119.54 35.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.924 0.392 . . . . 0.0 110.884 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.73 75.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 78' ' ' SER . 15.0 ttt180 -117.34 139.61 50.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.698 HD11 ' O ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -98.88 134.83 41.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.626 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -126.38 -26.23 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.089 179.854 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.698 ' O ' HD11 ' A' ' 81' ' ' LEU . 6.3 tp -124.75 121.91 35.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -152.95 105.04 2.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.6 t -144.26 147.58 33.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.083 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.453 ' HG3' ' CE ' ' A' ' 59' ' ' MET . 2.8 ttpm? -88.67 117.16 27.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.776 HD23 ' HE2' ' A' ' 91' ' ' MET . 6.5 mt -56.65 144.73 31.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.568 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 40.7 p90 -126.85 163.1 24.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.34 -43.21 92.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.063 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.568 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 32.4 mm-40 -82.87 32.78 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.958 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.776 ' HE2' HD23 ' A' ' 87' ' ' LEU . 8.0 tpp -76.36 145.64 39.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -104.29 103.83 13.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 3.1 tt -142.71 115.21 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -125.82 144.12 50.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.571 ' HD3' ' CD2' ' A' ' 129' ' ' TYR . 9.3 tptm -79.7 92.72 5.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.18 -45.88 91.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.089 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.2 t -151.29 -178.65 6.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -84.89 -2.92 58.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.4 mtmt -129.6 -1.0 4.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 79.4 p -140.15 152.16 45.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.869 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.565 ' O ' HD12 ' A' ' 117' ' ' LEU . 5.7 mt -138.28 152.73 25.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.128 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.423 ' CD2' HD12 ' A' ' 117' ' ' LEU . 4.8 m-70 -120.19 102.96 8.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.49 ' C ' HD12 ' A' ' 103' ' ' ILE . 1.0 OUTLIER -122.06 146.03 27.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 41.6 p -104.1 125.48 50.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.09 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -139.2 159.6 41.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.068 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.72 ' HG3' HG22 ' A' ' 113' ' ' VAL . 6.1 mtt -83.67 169.81 14.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.444 ' OD1' ' NH2' ' A' ' 49' ' ' ARG . 6.4 t70 -106.49 167.0 10.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 67.5 p -89.71 -38.65 13.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.165 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -98.24 -58.49 1.96 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -67.26 -12.11 59.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 38.87 49.0 1.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -131.96 148.76 19.19 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.478 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.72 HG22 ' HG3' ' A' ' 106' ' ' MET . 82.6 t -83.79 110.68 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 111.126 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -119.46 159.51 24.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 97.6 t -81.34 108.76 14.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.174 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -95.85 169.81 9.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.565 HD12 ' O ' ' A' ' 101' ' ' ILE . 5.7 tp -133.77 154.19 51.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.586 HG23 ' SG ' ' A' ' 34' ' ' CYS . 67.2 mt -127.52 110.11 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 23.2 t -103.81 115.32 30.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -150.63 171.16 17.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.159 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 123' ' ' LYS . 6.0 t -61.9 140.2 58.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.841 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 121' ' ' SER . 5.2 p -35.8 -31.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 121' ' ' SER . 21.8 tptm -76.0 -60.89 2.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -53.37 -52.14 60.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 90.9 m -41.21 -50.6 3.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -57.56 -44.81 93.7 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.457 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -59.54 -61.61 2.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.853 0.359 . . . . 0.0 110.937 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.589 ' CD1' HD11 ' A' ' 132' ' ' LEU . 0.5 OUTLIER -49.29 -61.36 2.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.571 ' CD2' ' HD3' ' A' ' 95' ' ' LYS . 61.9 t80 -53.32 -51.23 63.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.51 -22.21 12.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.145 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.984 ' HB1' HD22 ' A' ' 56' ' ' LEU . . . -85.7 -57.73 2.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.589 HD11 ' CD1' ' A' ' 128' ' ' LEU . 30.3 mt -49.13 -64.77 0.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 132' ' ' LEU . 6.0 t-80 -36.21 -64.81 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.494 ' O ' ' N ' ' A' ' 136' ' ' ILE . 5.4 t60 -47.74 -59.16 3.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.935 ' HE ' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -37.95 -27.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 -179.855 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.559 HD12 ' O ' ' A' ' 132' ' ' LEU . 3.8 mp -92.27 -48.1 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 59.2 mt -46.89 -29.82 2.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.922 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -74.49 -39.06 62.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.8 mt -69.83 -55.63 9.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.994 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -50.66 -22.57 2.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 13.1 t -77.6 -38.83 47.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.896 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . 0.454 ' NH1' ' OD1' ' A' ' 64' ' ' ASP . 4.4 mtp-105 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.402 ' O ' ' OD1' ' A' ' 57' ' ' ASN . 3.3 t . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.869 0.366 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -136.54 107.53 6.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 1.038 HG11 HD23 ' A' ' 56' ' ' LEU . 6.3 p -79.44 -33.71 15.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.118 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.737 ' O ' HD12 ' A' ' 30' ' ' LEU . 3.3 pp -166.85 128.17 1.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 1.067 ' CG ' HD11 ' A' ' 53' ' ' LEU . 32.0 tt0 -120.01 140.16 51.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -162.8 141.41 8.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -71.95 131.31 42.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.988 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.8 t -150.5 179.25 8.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -113.54 157.51 21.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.7 tp -132.54 128.08 36.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.955 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -123.76 129.41 51.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.475 ' O ' HG13 ' A' ' 38' ' ' VAL . 3.9 p -111.89 126.11 69.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.094 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -72.62 111.48 7.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.941 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 42' ' ' THR . 2.5 m-20 -97.52 101.71 13.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.403 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 12.2 ttmt -41.59 -24.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 40' ' ' ASP . 48.4 m -62.75 -44.96 94.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.9 m -96.39 -23.7 16.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.403 ' NE2' ' O ' ' A' ' 41' ' ' LYS . 1.3 mm-40 67.8 36.38 3.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.937 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t -156.1 170.16 22.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.543 ' CZ2' HD13 ' A' ' 117' ' ' LEU . 80.9 m95 -71.51 104.96 3.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 92.1 t -103.51 140.18 22.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.117 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -64.4 128.94 37.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.432 ' CZ ' ' HB ' ' A' ' 82' ' ' ILE . 0.6 OUTLIER -110.28 -37.32 5.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.788 -179.905 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 171.57 112.76 0.28 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.421 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.79 147.82 29.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.899 0.38 . . . . 0.0 110.814 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.413 ' N ' ' CE ' ' A' ' 73' ' ' MET . . . 165.55 -121.22 0.98 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.425 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.067 HD11 ' CG ' ' A' ' 31' ' ' GLN . 47.5 tp -98.09 146.88 25.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.807 0.337 . . . . 0.0 110.9 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.448 HD12 ' O ' ' A' ' 72' ' ' VAL . 4.6 tp -143.87 127.49 17.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.29 150.78 30.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.802 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 1.038 HD23 HG11 ' A' ' 29' ' ' VAL . 3.1 tp -89.43 114.08 25.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.94 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 27' ' ' SER . 4.6 t-20 -91.94 127.3 37.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -95.53 126.89 41.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.503 ' O ' ' N ' ' A' ' 68' ' ' GLN . 17.7 ptt? -136.1 151.13 49.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.75 154.69 31.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.48 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -89.7 157.61 17.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.835 -179.772 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.46 -54.58 3.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.056 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -84.83 -8.94 58.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.856 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.447 ' OD1' ' NH2' ' A' ' 142' ' ' ARG . 68.3 m-20 -119.59 -18.99 8.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.833 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.48 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 53.8 13.07 2.96 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.418 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.8 t -97.79 174.98 6.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.8 0.333 . . . . 0.0 111.147 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.485 ' C ' HD13 ' A' ' 67' ' ' LEU . 2.7 tm? -70.15 99.91 1.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 59' ' ' MET . 7.4 mm-40 -89.38 171.08 10.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 68.4 m -152.26 165.64 34.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -153.62 169.67 22.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.659 HD13 HD13 ' A' ' 103' ' ' ILE . 6.4 mt -107.79 113.33 26.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.448 ' O ' HD12 ' A' ' 54' ' ' LEU . 2.3 t -115.09 145.55 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.57 ' HG3' HD11 ' A' ' 82' ' ' ILE . 13.8 tpt -145.38 123.01 11.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 51.8 mtt-85 -111.16 132.11 54.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.832 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.1 p -71.46 161.05 31.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -90.01 146.15 24.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.79 -57.57 3.04 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.484 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.2 m -83.05 -23.47 33.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.939 0.4 . . . . 0.0 110.886 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 45.01 52.7 8.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.77 125.77 53.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.704 HD11 ' O ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -61.0 133.77 56.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.909 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.704 HD13 ' H ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -127.77 -27.61 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.818 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.704 ' O ' HD11 ' A' ' 81' ' ' LEU . 4.0 tp -125.83 132.61 52.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.638 ' OD1' HG22 ' A' ' 108' ' ' THR . 1.0 OUTLIER -162.83 106.55 1.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.561 HG21 ' HB1' ' A' ' 105' ' ' ALA . 10.8 t -144.87 146.45 32.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.435 ' HD2' ' NE2' ' A' ' 68' ' ' GLN . 23.1 ttpt -88.81 118.42 28.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.709 HD23 ' CE ' ' A' ' 91' ' ' MET . 7.6 mt -56.65 148.22 20.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.551 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 43.2 p90 -129.98 162.83 27.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.823 ' HB1' ' HA ' ' A' ' 140' ' ' ARG . . . -55.72 -46.1 77.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.139 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.551 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 59.9 mm-40 -82.62 32.01 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.926 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.709 ' CE ' HD23 ' A' ' 87' ' ' LEU . 2.5 tpp -72.8 144.26 47.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.827 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -107.5 110.44 22.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.9 tt -145.18 122.58 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -137.89 141.16 40.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.884 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.549 ' HE3' HG22 ' A' ' 125' ' ' THR . 11.5 tptm -79.95 96.75 6.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.913 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.65 -42.84 77.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.053 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.5 t -147.21 165.28 30.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.88 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.16 -19.67 65.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 26.0 mttp -120.26 14.9 12.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.1 p -148.43 147.6 29.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.774 HD11 HG23 ' A' ' 125' ' ' THR . 6.1 mt -139.81 146.04 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.419 ' CD2' ' CD1' ' A' ' 117' ' ' LEU . 11.3 m170 -116.5 110.67 18.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.659 HD13 HD13 ' A' ' 71' ' ' LEU . 1.3 pp -127.17 147.12 32.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.066 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.402 ' O ' ' HE1' ' A' ' 91' ' ' MET . 7.9 p -98.82 120.48 39.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.561 ' HB1' HG21 ' A' ' 85' ' ' THR . . . -138.73 166.22 24.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.039 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.719 ' HG3' HG22 ' A' ' 113' ' ' VAL . 14.8 mtt -93.07 164.51 13.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -103.11 161.71 13.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.822 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.638 HG22 ' OD1' ' A' ' 84' ' ' ASN . 76.2 p -87.13 -36.71 17.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -101.04 -53.12 3.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -64.19 -13.48 49.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 40.85 49.6 2.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -140.34 153.45 23.49 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.428 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.719 HG22 ' HG3' ' A' ' 106' ' ' MET . 42.4 t -81.86 95.46 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.938 0.399 . . . . 0.0 111.118 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.593 ' HG3' ' CE1' ' A' ' 116' ' ' PHE . 1.5 ptpm? -112.0 146.85 37.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.416 ' O ' HG13 ' A' ' 115' ' ' VAL . 4.0 p -87.43 117.67 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.144 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.593 ' CE1' ' HG3' ' A' ' 114' ' ' LYS . 86.5 m-85 -96.74 177.65 5.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.543 HD13 ' CZ2' ' A' ' 46' ' ' TRP . 3.7 tp -129.45 151.29 50.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.919 HD13 HD21 ' A' ' 128' ' ' LEU . 7.6 mt -133.14 101.92 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.118 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.8 t -95.64 113.11 24.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.988 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -140.62 160.97 38.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.04 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 122' ' ' SER . 74.7 m -52.53 151.73 4.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 121' ' ' SER . 99.4 p -35.48 -47.41 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.831 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -75.13 -59.82 2.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.933 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.617 ' HB3' ' HB1' ' A' ' 120' ' ' ALA . 3.6 m-20 -38.68 -51.79 1.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.774 HG23 HD11 ' A' ' 101' ' ' ILE . 89.5 m -54.75 -58.65 6.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -44.87 -43.9 8.5 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.542 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -53.61 -68.05 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.795 0.331 . . . . 0.0 110.835 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.919 HD21 HD13 ' A' ' 118' ' ' ILE . 9.0 tp -50.32 -63.58 1.08 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 95' ' ' LYS . 38.8 t80 -44.96 -58.11 3.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.966 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -50.76 -27.39 7.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.08 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 128' ' ' LEU . . . -76.83 -65.34 0.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 135' ' ' ARG . 20.6 mt -41.52 -66.0 0.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.967 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.473 ' C ' ' O ' ' A' ' 132' ' ' LEU . 10.6 t-160 -31.27 -65.41 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -51.79 -42.76 62.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.577 ' NE ' HD21 ' A' ' 56' ' ' LEU . 15.5 mmt180 -59.19 -30.35 68.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.495 ' N ' HD13 ' A' ' 136' ' ' ILE . 3.0 mm -76.79 -45.19 32.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.039 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.482 ' HA ' ' CG ' ' A' ' 140' ' ' ARG . 34.1 mt -46.74 -46.68 20.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.959 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -56.58 -32.85 65.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.149 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.8 mt -80.74 -66.89 0.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.823 ' HA ' ' HB1' ' A' ' 89' ' ' ALA . 4.0 ptm180 -42.03 -27.19 0.12 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.9 t -67.82 -42.17 81.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . 0.486 ' CZ ' ' HB3' ' A' ' 142' ' ' ARG . 10.8 mtp-105 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.829 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 35.0 m . . . . . 0 N--CA 1.457 -0.102 0 CA-C-O 120.832 0.349 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -103.28 86.22 2.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.509 HG21 HD23 ' A' ' 56' ' ' LEU . 91.7 t -38.43 -75.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.575 ' O ' HD12 ' A' ' 30' ' ' LEU . 4.0 pp -140.41 136.3 32.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.835 ' CG ' HD11 ' A' ' 53' ' ' LEU . 31.9 tt0 -117.65 132.78 56.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.958 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.446 ' CE ' HD23 ' A' ' 128' ' ' LEU . 4.0 ptm -159.27 143.76 15.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -74.72 123.85 25.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.957 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.8 t -141.83 176.16 9.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.568 ' HE3' ' CE1' ' A' ' 37' ' ' PHE . 28.1 tttp -114.97 146.45 41.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.7 tp -120.56 130.4 54.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.812 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.568 ' CE1' ' HE3' ' A' ' 35' ' ' LYS . 87.0 m-85 -121.18 137.29 54.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.95 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.599 HG23 ' CE1' ' A' ' 116' ' ' PHE . 5.5 p -115.1 120.88 65.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.478 ' CZ ' ' HA ' ' A' ' 44' ' ' GLN . 20.9 t80 -87.71 116.91 26.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 42' ' ' THR . 5.8 t0 -98.96 101.19 12.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.826 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.7 tttm -39.09 -29.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.934 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 40' ' ' ASP . 36.3 m -58.89 -47.09 86.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.124 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.0 t -92.03 -26.33 18.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.86 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.478 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 1.4 mm-40 67.36 37.3 3.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.923 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.1 t -147.0 167.37 24.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.578 ' CH2' ' HB2' ' A' ' 117' ' ' LEU . 44.0 m95 -82.29 99.57 9.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.948 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 91.7 t -97.03 135.79 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.166 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -66.83 133.44 50.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.7 tpp180 -109.03 -48.9 3.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -177.86 127.54 1.19 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.519 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -116.6 148.88 40.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.858 0.361 . . . . 0.0 110.824 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 166.37 -118.05 0.78 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.538 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.835 HD11 ' CG ' ' A' ' 31' ' ' GLN . 51.7 tp -107.22 141.34 38.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.815 0.34 . . . . 0.0 110.962 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.426 HD12 ' O ' ' A' ' 72' ' ' VAL . 3.9 tp -137.96 131.57 31.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.977 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.659 ' NH2' HG12 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -151.55 154.06 35.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.622 HD21 ' CZ ' ' A' ' 135' ' ' ARG . 7.0 tp -95.55 115.21 27.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -101.45 137.5 39.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.911 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 59' ' ' MET . 0.8 OUTLIER -94.92 140.01 30.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.507 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 22.5 ptt? -147.68 149.24 32.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.65 150.95 30.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.099 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.481 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.6 OUTLIER -82.87 156.81 23.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.783 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.95 -46.64 5.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.092 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -90.64 -8.54 49.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.813 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -122.77 -17.57 6.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.481 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 53.33 16.54 4.93 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.444 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.4 t -102.74 173.86 6.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.809 0.337 . . . . 0.0 111.12 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.526 ' C ' HD13 ' A' ' 67' ' ' LEU . 1.9 tm? -65.11 100.37 0.43 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.555 ' NE2' ' NZ ' ' A' ' 86' ' ' LYS . 6.5 mm-40 -90.6 170.65 9.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.891 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.475 ' HB3' HD12 ' A' ' 87' ' ' LEU . 68.5 m -149.8 144.28 25.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 32.2 ptt180 -142.34 151.51 42.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.449 HD13 HD13 ' A' ' 103' ' ' ILE . 8.4 mt -94.35 121.92 36.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.792 HG13 HD21 ' A' ' 81' ' ' LEU . 3.4 t -117.48 141.35 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.441 ' HG3' HD11 ' A' ' 82' ' ' ILE . 11.0 tpt -142.19 128.93 20.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.434 ' HG2' HD22 ' A' ' 81' ' ' LEU . 45.4 mtm180 -122.37 128.34 50.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.466 HG23 HD12 ' A' ' 82' ' ' ILE . 6.9 p -72.58 142.11 48.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -20.84 66.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -56.27 -78.08 0.13 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 79' ' ' LEU . 3.2 t -126.28 44.06 2.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.927 0.394 . . . . 0.0 110.895 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 78' ' ' SER . 38.2 mt 36.84 38.18 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 49.0 ttt85 -85.51 142.08 29.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.792 HD21 HG13 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -89.21 134.0 34.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.545 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -126.25 -24.47 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.833 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.437 ' O ' HD11 ' A' ' 81' ' ' LEU . 6.4 tp -126.14 107.39 10.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -134.91 69.84 1.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.42 HG21 ' HB1' ' A' ' 105' ' ' ALA . 7.3 t -110.16 152.57 25.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.555 ' NZ ' ' NE2' ' A' ' 68' ' ' GLN . 5.9 tmmm? -100.2 124.98 46.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.627 HD23 ' HE2' ' A' ' 91' ' ' MET . 41.8 mt -56.8 141.4 44.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.568 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 46.1 p90 -127.39 154.95 44.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.96 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.401 ' HB1' ' HA ' ' A' ' 140' ' ' ARG . . . -48.1 -49.83 30.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.135 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.568 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 89.4 mm-40 -80.33 31.18 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.627 ' HE2' HD23 ' A' ' 87' ' ' LEU . 3.1 tpp -73.35 142.65 47.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -105.31 119.36 38.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.922 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.45 HD12 HD23 ' A' ' 132' ' ' LEU . 1.3 tt -151.99 117.22 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.155 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -134.04 139.2 45.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.507 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 12.1 tptm -75.89 98.51 4.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.488 ' HB2' ' CD2' ' A' ' 102' ' ' HIS . . . -66.26 -48.14 71.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.123 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.1 m -142.64 -175.29 4.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.743 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -76.6 -39.17 53.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.47 26.42 9.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.7 m -159.12 152.22 22.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.819 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.485 HD12 HD11 ' A' ' 128' ' ' LEU . 6.8 mt -140.08 158.02 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.179 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.488 ' CD2' ' HB2' ' A' ' 96' ' ' ALA . 3.6 m-70 -119.34 100.7 7.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.559 ' C ' HD12 ' A' ' 103' ' ' ILE . 1.1 pp -120.71 140.77 43.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.095 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.404 ' O ' ' HE1' ' A' ' 91' ' ' MET . 37.2 p -96.65 123.46 40.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.425 ' HB3' ' CD2' ' A' ' 116' ' ' PHE . . . -134.11 170.85 15.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.533 ' HG3' HG22 ' A' ' 113' ' ' VAL . 35.2 mtt -107.2 153.16 23.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -88.32 166.42 14.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.856 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 69.1 p -87.5 -38.1 16.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -94.88 -55.94 2.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -68.17 -16.65 64.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 40.31 46.07 1.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -128.02 149.97 18.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.557 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.533 HG22 ' HG3' ' A' ' 106' ' ' MET . 60.7 t -84.84 117.77 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.903 0.383 . . . . 0.0 111.151 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.455 ' HD2' ' CZ ' ' A' ' 116' ' ' PHE . 7.2 ptpt -128.0 174.1 9.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 83.7 t -93.95 109.99 22.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.599 ' CE1' HG23 ' A' ' 38' ' ' VAL . 49.3 m-85 -98.55 171.79 7.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.974 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.578 ' HB2' ' CH2' ' A' ' 46' ' ' TRP . 3.7 tp -137.08 155.02 50.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.63 HG22 ' SG ' ' A' ' 34' ' ' CYS . 10.1 mt -134.49 101.13 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.16 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 41.7 t -92.32 111.03 22.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.78 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.957 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -137.26 177.58 7.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.084 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 122' ' ' SER . 2.9 m -61.92 145.06 54.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 121' ' ' SER . 67.1 p -37.77 -36.13 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.793 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.2 -58.15 2.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -44.39 -54.44 5.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.849 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 73.6 m -43.44 -42.04 4.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -68.82 -35.02 78.78 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.48 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -58.87 -68.32 0.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.817 0.341 . . . . 0.0 110.936 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.485 HD11 HD12 ' A' ' 101' ' ' ILE . 1.1 pp -53.34 -39.54 64.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.507 ' CZ ' ' HB2' ' A' ' 95' ' ' LYS . 18.6 t80 -59.69 -57.66 11.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -49.53 -41.33 40.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.067 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 132' ' ' LEU . . . -62.91 -66.34 0.56 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.121 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.484 ' O ' ' C ' ' A' ' 133' ' ' HIS . 9.2 mp -36.75 -67.7 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.484 ' C ' ' O ' ' A' ' 132' ' ' LEU . 2.4 t-160 -31.64 -67.15 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.825 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 135' ' ' ARG . 55.6 t60 -47.69 -57.86 5.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.861 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.622 ' CZ ' HD21 ' A' ' 56' ' ' LEU . 7.7 mmm180 -35.89 -36.98 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.434 HG12 ' HB3' ' A' ' 91' ' ' MET . 4.1 mp -85.59 -48.22 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 56.0 mt -45.08 -29.58 0.92 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.965 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -75.93 -36.38 59.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.052 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.7 mt -73.28 -56.51 4.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.935 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.401 ' HA ' ' HB1' ' A' ' 89' ' ' ALA . 5.7 ptm180 -47.83 -24.26 0.95 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 29.3 t -78.52 -42.56 29.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.824 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 24.0 mtt-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.81 -179.896 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 t . . . . . 0 N--CA 1.458 -0.053 0 CA-C-O 120.888 0.375 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.401 ' ND2' ' HB2' ' A' ' 55' ' ' ARG . 2.2 t-20 -83.0 110.57 18.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.716 ' HB ' HD23 ' A' ' 56' ' ' LEU . 85.4 t -67.02 -67.39 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.465 ' O ' HD12 ' A' ' 30' ' ' LEU . 4.5 pp -135.7 139.41 43.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.918 ' CG ' HD11 ' A' ' 53' ' ' LEU . 18.7 tt0 -129.3 132.1 47.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.559 ' O ' HD12 ' A' ' 53' ' ' LEU . 5.1 ptt? -158.96 161.01 36.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -85.69 118.69 25.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.908 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.5 t -137.82 177.45 7.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.831 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -118.96 138.32 52.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.3 tp -111.99 121.96 46.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -115.53 140.86 48.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.491 HG23 ' CE1' ' A' ' 116' ' ' PHE . 8.2 p -120.61 130.06 74.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.106 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.497 ' CZ ' ' HA ' ' A' ' 44' ' ' GLN . 20.9 t80 -85.69 131.36 34.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 42' ' ' THR . 7.9 t0 -116.99 104.16 11.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.5 ptpp? -41.71 -24.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 40' ' ' ASP . 76.8 m -63.06 -43.97 97.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.154 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.1 t -101.5 -10.97 19.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.801 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.497 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 0.9 OUTLIER 54.75 34.42 21.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -148.46 167.94 24.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.519 ' CZ3' ' HB2' ' A' ' 117' ' ' LEU . 97.3 m95 -79.02 111.21 15.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.859 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 90.3 t -104.64 140.86 21.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -52.75 142.13 19.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -123.68 -37.01 2.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 163.06 126.24 0.81 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.443 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.7 ptp180 -117.77 149.95 39.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.82 0.343 . . . . 0.0 110.88 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 170.83 -105.98 0.23 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.55 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.918 HD11 ' CG ' ' A' ' 31' ' ' GLN . 10.8 tp -136.03 118.65 15.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.832 0.349 . . . . 0.0 110.93 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.716 HD12 ' O ' ' A' ' 72' ' ' VAL . 11.0 tp -94.73 142.19 27.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.963 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.629 ' O ' HG22 ' A' ' 72' ' ' VAL . 13.4 ptt180 -151.32 153.5 34.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.716 HD23 ' HB ' ' A' ' 29' ' ' VAL . 3.2 tp -107.47 112.56 25.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -96.12 131.87 42.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.618 ' CG ' HD21 ' A' ' 67' ' ' LEU . 8.2 t0 -97.13 142.56 28.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.478 ' CE ' ' HG3' ' A' ' 86' ' ' LYS . 19.5 ptt? -146.43 155.19 42.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.41 145.99 26.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.456 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -80.81 160.47 24.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.845 -179.786 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.0 -69.7 0.75 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -71.32 -19.76 62.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -104.78 -23.85 12.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.456 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 56.15 10.68 4.05 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.497 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.449 HG21 ' HD2' ' A' ' 142' ' ' ARG . 6.5 t -93.58 172.49 8.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.35 . . . . 0.0 111.181 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.618 HD21 ' CG ' ' A' ' 58' ' ' ASP . 3.4 tm? -65.87 100.08 0.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 59' ' ' MET . 5.9 mm-40 -91.54 165.69 13.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.465 ' C ' HD12 ' A' ' 87' ' ' LEU . 9.5 m -149.16 169.85 19.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.3 ptp85 -158.48 160.45 36.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.478 HD21 HH22 ' A' ' 135' ' ' ARG . 4.9 mt -93.17 155.24 17.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.716 ' O ' HD12 ' A' ' 54' ' ' LEU . 0.9 OUTLIER -153.03 153.69 8.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.819 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.403 ' HB3' ' HB3' ' A' ' 83' ' ' LEU . 8.3 tpt -153.18 113.55 4.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.44 ' NH1' ' NH1' ' A' ' 55' ' ' ARG . 30.3 mtm180 -106.1 129.89 54.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.7 p -74.11 152.61 39.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.101 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -80.39 83.6 6.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -176.74 -71.91 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.498 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.5 m -130.22 39.9 3.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.815 0.34 . . . . 0.0 110.839 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.41 HD22 ' HD2' ' A' ' 74' ' ' ARG . 35.9 mt 39.85 46.9 1.75 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.955 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -85.67 118.19 25.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.556 HD13 ' N ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -80.3 132.8 35.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.556 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -125.96 -22.18 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.828 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.513 ' O ' HD11 ' A' ' 81' ' ' LEU . 11.3 tp -124.84 107.88 11.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -142.0 105.02 4.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.7 t -139.88 156.36 46.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.478 ' HG3' ' CE ' ' A' ' 59' ' ' MET . 23.7 ttpt -97.6 123.09 41.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.84 HD13 ' HB3' ' A' ' 135' ' ' ARG . 1.1 mt -57.91 154.78 11.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.957 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.613 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 48.3 p90 -140.59 150.4 43.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.871 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -46.61 -43.95 17.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.613 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 3.1 mp0 -82.11 24.8 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.522 ' HA ' ' CE2' ' A' ' 88' ' ' TRP . 3.7 tpp -68.26 135.28 51.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -99.11 123.61 43.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.962 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.632 HD12 HD22 ' A' ' 132' ' ' LEU . 1.2 tt -154.42 113.78 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.081 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -128.28 142.99 50.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.828 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -82.46 95.19 7.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.406 ' HB2' ' CD2' ' A' ' 102' ' ' HIS . . . -66.23 -43.92 85.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.089 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.7 t -149.12 171.32 16.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.782 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -75.12 -4.38 38.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 23.8 mtmt -129.36 -2.95 4.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.444 ' OG ' HD21 ' A' ' 117' ' ' LEU . 1.2 t -136.76 146.66 46.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.457 HD11 ' O ' ' A' ' 125' ' ' THR . 54.2 mt -138.24 138.37 43.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.146 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.552 ' CD2' HD12 ' A' ' 117' ' ' LEU . 14.2 m170 -102.94 104.44 14.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.816 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.468 ' C ' HD12 ' A' ' 103' ' ' ILE . 0.9 OUTLIER -118.45 143.53 29.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.142 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 10.3 p -98.5 118.34 34.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -136.18 166.96 22.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.135 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.514 ' HG3' HG22 ' A' ' 113' ' ' VAL . 40.2 mtt -98.55 136.43 38.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.488 ' OD2' ' N ' ' A' ' 110' ' ' ASP . 3.9 p-10 -83.84 169.4 15.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.935 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 48.4 p -104.56 -14.82 15.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -86.36 -57.0 3.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.913 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.488 ' N ' ' OD2' ' A' ' 107' ' ' ASP . 23.4 t70 -100.09 8.72 43.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.486 ' N ' ' OD2' ' A' ' 107' ' ' ASP . 11.1 mt-30 34.81 51.6 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.418 ' H ' ' CG ' ' A' ' 107' ' ' ASP . . . -132.11 167.91 22.72 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.487 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.514 HG22 ' HG3' ' A' ' 106' ' ' MET . 58.5 t -96.84 118.8 43.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.875 0.369 . . . . 0.0 111.121 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.418 ' NZ ' ' HB3' ' A' ' 114' ' ' LYS . 1.4 ptpm? -132.76 162.86 30.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.926 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 89.5 t -83.17 112.92 21.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.199 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.491 ' CE1' HG23 ' A' ' 38' ' ' VAL . 58.3 m-85 -99.76 173.91 6.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.552 HD12 ' CD2' ' A' ' 102' ' ' HIS . 3.4 tp -137.24 156.54 48.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.566 HD13 ' CD1' ' A' ' 128' ' ' LEU . 24.9 mt -133.53 107.64 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.162 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.3 t -96.4 109.35 21.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.908 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -139.93 172.79 12.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.058 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 122' ' ' SER . 45.7 t -59.13 144.74 44.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 121' ' ' SER . 5.1 p -37.32 -35.16 0.11 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -86.91 -63.68 1.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 127' ' ' GLN . 24.4 m-20 -40.31 -61.04 0.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.926 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.593 ' HA ' HD21 ' A' ' 128' ' ' LEU . 19.7 m -36.05 -35.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 124' ' ' ASP . . . -73.23 -41.46 46.51 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.422 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 124' ' ' ASP . 7.5 mt-30 -42.72 -69.51 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.853 0.359 . . . . 0.0 110.9 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.911 ' O ' HD12 ' A' ' 132' ' ' LEU . 1.2 pt? -53.08 -40.8 64.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.959 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.507 ' N ' ' HG ' ' A' ' 128' ' ' LEU . 16.7 t80 -53.81 -63.0 1.29 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -48.94 -19.08 0.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.102 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 128' ' ' LEU . . . -88.43 -59.99 2.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.095 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.911 HD12 ' O ' ' A' ' 128' ' ' LEU . 3.6 mp -38.02 -63.82 0.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.536 ' ND1' HD11 ' A' ' 137' ' ' LEU . 2.2 t-160 -34.25 -64.62 0.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.961 ' HA ' HD12 ' A' ' 137' ' ' LEU . 55.4 t60 -47.1 -59.5 3.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.84 ' HB3' HD13 ' A' ' 87' ' ' LEU . 46.1 mtm180 -36.01 -30.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.527 HD12 ' N ' ' A' ' 136' ' ' ILE . 3.6 mp -94.28 -46.88 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.106 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.961 HD12 ' HA ' ' A' ' 134' ' ' HIS . 5.8 mt -50.94 -33.12 23.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -69.36 -24.89 63.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.14 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.1 mt -90.21 -55.73 3.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.477 ' CG ' ' HA ' ' A' ' 137' ' ' LEU . 2.7 ptp180 -57.58 -19.09 23.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 47.1 t -75.43 -35.16 61.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . 0.484 ' CZ ' ' HB3' ' A' ' 142' ' ' ARG . 5.3 mtp-105 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.934 0.397 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -126.92 88.1 2.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.504 ' HB ' HD23 ' A' ' 56' ' ' LEU . 76.9 t -47.99 -60.7 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.086 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 pp -151.86 140.58 20.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.868 ' CG ' HD11 ' A' ' 53' ' ' LEU . 31.0 tt0 -117.96 138.53 52.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.6 ptm -161.31 130.46 4.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -67.72 130.53 43.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.726 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 2.2 t -151.04 177.23 10.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -114.86 162.63 16.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.432 HD23 ' HD2' ' A' ' 49' ' ' ARG . 11.0 tp -128.65 121.25 28.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.962 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -116.21 117.43 30.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.7 p -104.68 137.88 31.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.077 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.429 ' CZ ' ' HA ' ' A' ' 44' ' ' GLN . 10.8 t80 -85.35 132.68 34.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 42' ' ' THR . 4.6 m-20 -121.16 104.4 9.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.479 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 2.8 ptpp? -37.88 -27.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.828 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.492 ' N ' ' O ' ' A' ' 40' ' ' ASP . 36.4 m -60.29 -49.5 77.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.18 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.5 t -91.93 -24.48 19.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.479 ' NE2' ' O ' ' A' ' 41' ' ' LYS . 1.0 OUTLIER 66.61 36.01 5.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.9 m -161.38 -178.44 6.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.518 ' CH2' ' HB2' ' A' ' 117' ' ' LEU . 68.6 m95 -72.36 113.8 9.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 71.1 t -109.83 135.96 47.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.075 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.413 ' HG3' ' NH2' ' A' ' 51' ' ' ARG . 7.1 tm-20 -52.15 132.05 32.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.432 ' HD2' HD23 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -120.73 -31.18 4.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.839 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 158.81 132.98 1.45 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.506 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.413 ' NH2' ' HG3' ' A' ' 48' ' ' GLU . 1.5 ptp85 -120.8 141.29 50.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.764 0.316 . . . . 0.0 110.928 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.12 -134.66 3.18 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.488 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.868 HD11 ' CG ' ' A' ' 31' ' ' GLN . 43.9 tp -96.44 148.72 22.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.809 0.338 . . . . 0.0 110.924 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.541 HD12 ' O ' ' A' ' 72' ' ' VAL . 4.6 tp -142.89 133.32 24.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.565 ' NH2' HG12 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -151.33 155.38 38.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 1.006 HD22 ' HB1' ' A' ' 131' ' ' ALA . 3.3 tp -91.64 110.86 22.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -92.44 142.65 27.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -108.49 138.79 44.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.496 ' O ' ' N ' ' A' ' 68' ' ' GLN . 21.7 ptt? -150.14 152.54 34.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -83.21 157.36 22.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.476 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -88.34 157.66 18.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 -179.759 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.7 -47.87 5.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.157 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -90.32 -9.59 47.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.878 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.411 ' HB2' HG22 ' A' ' 66' ' ' THR . 2.4 m-20 -121.59 -14.56 8.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.476 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 50.07 16.22 1.25 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.451 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.411 HG22 ' HB2' ' A' ' 64' ' ' ASP . 12.0 t -99.25 174.61 6.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.878 0.37 . . . . 0.0 111.122 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.417 ' C ' HD13 ' A' ' 67' ' ' LEU . 2.5 tm? -68.3 99.9 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.538 ' NE2' ' NZ ' ' A' ' 86' ' ' LYS . 6.7 mm-40 -87.95 170.79 10.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.9 m -155.76 150.51 26.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.808 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.426 ' CB ' ' HA ' ' A' ' 86' ' ' LYS . 1.9 ptp180 -146.26 163.06 36.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.845 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.998 HD21 HD21 ' A' ' 132' ' ' LEU . 7.0 mt -102.48 121.78 43.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.671 HG22 ' OD1' ' A' ' 84' ' ' ASN . 3.2 t -117.45 142.22 32.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.616 ' HB2' HD23 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -144.95 124.4 13.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.848 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.477 ' N ' ' SD ' ' A' ' 73' ' ' MET . 83.3 mtt180 -122.04 127.94 50.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.88 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.2 p -68.59 152.0 45.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.17 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.451 ' CD ' ' O ' ' A' ' 76' ' ' GLN . 0.0 OUTLIER -78.45 132.12 37.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 128.98 -69.23 0.53 Allowed Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.478 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.6 p -128.03 28.72 5.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.921 0.391 . . . . 0.0 110.872 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.408 HD22 ' HD2' ' A' ' 74' ' ' ARG . 42.9 mt 37.7 53.31 1.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -85.38 102.12 13.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.833 HD13 ' N ' ' A' ' 82' ' ' ILE . 0.5 OUTLIER -58.72 134.04 56.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.833 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -129.24 -30.29 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.092 179.9 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.616 HD23 ' HB2' ' A' ' 73' ' ' MET . 3.8 tp -122.83 130.94 53.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.959 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.671 ' OD1' HG22 ' A' ' 72' ' ' VAL . 15.5 m-20 -163.38 105.82 0.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.2 t -147.25 141.26 25.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.538 ' NZ ' ' NE2' ' A' ' 68' ' ' GLN . 3.8 tmmm? -82.87 128.98 34.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.723 HD23 ' CE ' ' A' ' 91' ' ' MET . 27.6 mt -61.21 136.36 58.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.945 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.556 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 42.1 p90 -116.32 160.51 20.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.992 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.67 -45.33 70.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.112 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.556 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 27.1 mm-40 -83.93 32.31 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.958 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.723 ' CE ' HD23 ' A' ' 87' ' ' LEU . 1.1 tpp -68.7 138.59 55.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -106.2 111.46 24.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.9 tt -145.84 116.98 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.076 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -125.68 144.56 50.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 11.1 tptm -86.43 95.43 9.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.02 -38.38 90.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.104 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.4 t -160.75 172.6 16.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -77.41 -0.27 25.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 51.5 mttt -121.06 -27.78 4.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 80.2 p -122.7 154.4 38.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.828 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.453 HD13 ' HB2' ' A' ' 129' ' ' TYR . 7.2 mt -138.71 144.84 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.12 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.689 ' CD2' HD12 ' A' ' 117' ' ' LEU . 11.2 m170 -111.28 109.65 19.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.802 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.533 ' C ' HD12 ' A' ' 103' ' ' ILE . 1.2 pp -125.9 143.39 39.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.073 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 35.6 p -98.76 126.69 44.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.19 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -140.09 167.64 21.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.794 ' HG3' HG22 ' A' ' 113' ' ' VAL . 10.0 mtt -95.06 161.93 13.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -96.8 171.51 8.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 72.1 p -93.45 -37.06 12.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -100.18 -54.99 2.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -65.0 -13.06 56.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 40.92 45.01 2.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -137.4 150.7 20.85 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.561 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.794 HG22 ' HG3' ' A' ' 106' ' ' MET . 43.6 t -81.34 138.47 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.961 0.41 . . . . 0.0 111.109 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -144.0 176.65 9.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 45.4 t -94.12 102.67 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.062 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -95.86 136.75 35.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.689 HD12 ' CD2' ' A' ' 102' ' ' HIS . 4.8 tp -101.08 155.27 18.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.593 HD13 ' CD2' ' A' ' 128' ' ' LEU . 57.5 mt -129.79 102.83 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.193 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 46.7 t -94.05 104.53 16.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.726 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -134.07 174.77 10.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.098 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 122' ' ' SER . 47.7 t -69.91 141.67 53.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.803 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 121' ' ' SER . 5.5 p -35.97 -35.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 121' ' ' SER . 52.0 tptt -79.85 -60.22 2.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.858 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 125' ' ' THR . 69.9 m-20 -50.96 -53.78 30.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.429 HG23 HD11 ' A' ' 101' ' ' ILE . 47.2 m -36.83 -52.22 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -55.58 -54.96 31.19 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.52 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -40.76 -69.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 110.94 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.593 ' CD2' HD13 ' A' ' 118' ' ' ILE . 30.8 tp -47.75 -66.95 0.32 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 95' ' ' LYS . 37.9 t80 -35.94 -59.5 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -47.79 -42.68 26.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.109 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 1.006 ' HB1' HD22 ' A' ' 56' ' ' LEU . . . -61.88 -69.53 0.24 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.09 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.998 HD21 HD21 ' A' ' 71' ' ' LEU . 11.0 mp -45.43 -69.08 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.452 ' C ' ' O ' ' A' ' 132' ' ' LEU . 11.9 t-80 -34.3 -55.82 0.51 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 135' ' ' ARG . 50.6 t60 -55.59 -58.89 5.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.947 ' HE ' HD21 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -37.93 -42.32 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 -179.899 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.611 HD11 HD22 ' A' ' 87' ' ' LEU . 2.9 mm -64.69 -53.7 38.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 36.6 mt -38.74 -40.28 0.59 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -67.28 -39.35 86.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.102 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 136' ' ' ILE . 4.6 mt -71.11 -55.73 7.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -42.03 -40.16 2.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 33.3 t -56.04 -41.86 75.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 27.1 mtp85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 -179.92 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.2 m . . . . . 0 C--O 1.23 0.04 0 CA-C-O 120.818 0.342 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.451 ' ND2' ' HB2' ' A' ' 55' ' ' ARG . 0.9 OUTLIER -130.47 114.41 15.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.0 t -68.09 -66.58 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.109 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.492 HD11 ' HA ' ' A' ' 128' ' ' LEU . 4.5 pp -138.63 140.44 38.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.839 ' CG ' HD11 ' A' ' 53' ' ' LEU . 25.1 tt0 -126.47 134.87 50.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.82 ' CE ' HD23 ' A' ' 128' ' ' LEU . 4.1 ptm -161.27 142.43 11.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -70.44 122.31 19.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.721 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.8 t -139.17 177.89 7.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -116.64 159.57 22.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.587 HD21 ' CD2' ' A' ' 116' ' ' PHE . 5.2 tp -130.49 135.09 47.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -135.35 135.69 40.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.56 ' CG1' ' CE2' ' A' ' 116' ' ' PHE . 31.3 m -121.59 150.25 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -87.34 134.34 33.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.838 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.48 ' O ' ' C ' ' A' ' 41' ' ' LYS . 1.4 t0 -122.96 93.14 3.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.492 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 3.6 ttmm -31.38 -38.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 40' ' ' ASP . 9.9 m -54.51 -51.75 64.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 40' ' ' ASP . 8.7 t -85.75 -26.26 25.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.492 ' NE2' ' O ' ' A' ' 41' ' ' LYS . 1.4 mm-40 65.97 38.6 4.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 34.1 m -164.61 174.77 10.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 63.8 m95 -71.35 125.68 27.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 76.7 t -118.7 135.12 60.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.064 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -62.62 121.82 14.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -103.19 -37.42 7.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 169.06 118.1 0.43 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.486 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -111.7 137.69 49.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.798 0.333 . . . . 0.0 110.885 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.568 ' H ' ' HE1' ' A' ' 73' ' ' MET . . . 177.76 -127.27 1.16 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.421 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.839 HD11 ' CG ' ' A' ' 31' ' ' GLN . 57.4 tp -98.42 134.88 40.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.342 . . . . 0.0 110.989 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.64 HD12 ' O ' ' A' ' 72' ' ' VAL . 4.4 tp -131.94 134.77 46.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.451 ' HB2' ' ND2' ' A' ' 28' ' ' ASN . 0.0 OUTLIER -151.27 153.02 34.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.876 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.711 HD21 ' HD2' ' A' ' 135' ' ' ARG . 5.2 tp -96.4 108.21 20.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -92.51 143.68 26.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.823 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -111.44 126.67 55.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.495 ' O ' ' N ' ' A' ' 68' ' ' GLN . 11.7 ptt? -128.44 161.08 30.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.33 147.66 25.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.062 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.473 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.5 OUTLIER -83.63 156.07 22.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.882 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.88 -51.44 3.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.145 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -86.25 -10.37 54.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.808 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -119.63 -17.34 8.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.473 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 52.61 14.07 2.29 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.49 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.1 t -99.17 174.66 6.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.821 0.343 . . . . 0.0 111.129 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.449 ' C ' HD13 ' A' ' 67' ' ' LEU . 2.4 tm? -68.43 99.49 0.96 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 59' ' ' MET . 6.6 mm-40 -88.67 171.03 10.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.2 m -151.18 164.79 35.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -155.79 163.36 39.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.939 HD21 HD11 ' A' ' 132' ' ' LEU . 9.7 mt -104.44 119.35 38.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.959 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.64 ' O ' HD12 ' A' ' 54' ' ' LEU . 2.3 t -120.9 146.56 25.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.11 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.568 ' HE1' ' H ' ' A' ' 52' ' ' GLY . 12.2 tpt -149.21 114.27 5.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.8 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.445 ' CZ ' HD12 ' A' ' 79' ' ' LEU . 42.7 mtp180 -105.7 130.72 53.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.562 HG23 HD12 ' A' ' 82' ' ' ILE . 12.9 p -68.23 155.64 39.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.083 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.435 ' CD ' ' O ' ' A' ' 76' ' ' GLN . 3.3 pp0? -92.33 39.97 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -123.73 -69.23 0.22 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.508 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 79' ' ' LEU . 7.5 m -134.18 43.33 2.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.888 0.375 . . . . 0.0 110.795 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.445 HD12 ' CZ ' ' A' ' 74' ' ' ARG . 4.0 mm? 37.28 53.51 1.28 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.826 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.402 ' HD2' ' O ' ' A' ' 81' ' ' LEU . 1.1 tpp85 -104.59 110.44 22.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.574 HD11 ' O ' ' A' ' 83' ' ' LEU . 0.1 OUTLIER -66.76 129.87 41.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.896 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.647 HD13 ' H ' ' A' ' 82' ' ' ILE . 0.3 OUTLIER -124.02 -21.2 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.096 179.857 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.574 ' O ' HD11 ' A' ' 81' ' ' LEU . 6.9 tp -127.73 112.18 14.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.451 ' OD1' ' C ' ' A' ' 84' ' ' ASN . 9.6 t-20 -145.03 105.09 4.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.7 t -144.52 154.92 43.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.075 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.476 ' HD2' ' NE2' ' A' ' 68' ' ' GLN . 19.8 ttpt -99.3 123.83 43.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.645 HD23 ' HE2' ' A' ' 91' ' ' MET . 15.4 mt -56.66 139.05 51.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.558 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 42.9 p90 -120.52 161.43 21.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.437 ' HB1' ' HA ' ' A' ' 140' ' ' ARG . . . -54.44 -46.1 73.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.176 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.558 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 72.5 mm-40 -83.19 32.45 0.44 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.645 ' HE2' HD23 ' A' ' 87' ' ' LEU . 1.5 tpp -72.68 135.73 45.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -102.56 118.5 36.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.7 tt -149.22 134.15 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.157 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -148.51 144.14 27.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.66 ' HE3' HG22 ' A' ' 125' ' ' THR . 12.0 tptm -85.13 93.95 8.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.985 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.483 ' HB2' ' CD2' ' A' ' 102' ' ' HIS . . . -56.6 -48.93 76.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.8 t -146.5 -178.95 6.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.802 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -66.04 -39.9 90.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.837 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -110.7 32.57 5.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 39.8 p -156.88 139.66 15.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.665 ' CD1' HD11 ' A' ' 128' ' ' LEU . 3.6 mt -133.67 148.1 30.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.186 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.545 ' CD2' HD12 ' A' ' 117' ' ' LEU . 6.4 m-70 -118.17 103.31 9.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.492 ' C ' HD12 ' A' ' 103' ' ' ILE . 1.4 pp -120.84 146.8 25.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.131 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.417 ' O ' ' HE1' ' A' ' 91' ' ' MET . 21.0 p -102.65 123.11 45.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.426 ' HB3' ' CD1' ' A' ' 116' ' ' PHE . . . -143.39 175.98 9.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.116 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 17.8 mtt -108.6 155.47 20.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.82 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -103.1 167.36 9.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.815 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.3 -36.67 13.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.16 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -82.24 -56.89 3.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -70.68 -34.93 72.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 62.88 46.12 5.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -142.67 152.74 24.09 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.448 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 92.6 t -75.78 96.53 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.966 0.412 . . . . 0.0 111.093 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.564 ' HG3' ' CE1' ' A' ' 116' ' ' PHE . 1.6 ptpm? -108.24 156.39 19.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 98.1 t -80.73 113.17 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.171 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.587 ' CD2' HD21 ' A' ' 36' ' ' LEU . 91.9 m-85 -98.96 137.88 36.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.96 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.545 HD12 ' CD2' ' A' ' 102' ' ' HIS . 3.3 tp -103.22 157.17 17.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.537 HD12 ' HB ' ' A' ' 101' ' ' ILE . 10.3 mt -137.5 106.82 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.8 t -103.73 115.57 30.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.721 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -143.99 174.36 10.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.076 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 74.0 m -53.86 151.15 6.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 96.5 p -41.04 -44.21 2.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.88 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -81.05 -59.88 2.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.923 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 127' ' ' GLN . 1.1 m-20 -38.96 -59.52 0.96 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.66 HG22 ' HE3' ' A' ' 95' ' ' LYS . 93.9 m -41.76 -37.36 1.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.137 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -76.45 -31.54 54.13 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.529 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 124' ' ' ASP . 15.1 mt-30 -59.3 -68.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.829 0.347 . . . . 0.0 110.939 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.859 HD12 ' N ' ' A' ' 129' ' ' TYR . 2.4 pp -57.06 -40.35 76.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.859 ' N ' HD12 ' A' ' 128' ' ' LEU . 16.7 t80 -59.43 -68.6 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 129' ' ' TYR . . . -37.88 -33.28 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.092 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.46 ' HB1' HD22 ' A' ' 56' ' ' LEU . . . -73.76 -46.95 42.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.1 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.939 HD11 HD21 ' A' ' 71' ' ' LEU . 3.4 mm? -49.28 -71.33 0.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.458 ' C ' ' O ' ' A' ' 132' ' ' LEU . 7.7 t-160 -33.88 -70.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.876 ' HA ' HD12 ' A' ' 137' ' ' LEU . 42.0 t60 -40.32 -60.01 1.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.917 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.711 ' HD2' HD21 ' A' ' 56' ' ' LEU . 9.9 mmp_? -40.22 -34.38 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.829 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.511 ' N ' HD13 ' A' ' 136' ' ' ILE . 2.3 mm -79.92 -51.73 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.099 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.876 HD12 ' HA ' ' A' ' 134' ' ' HIS . 16.4 mt -42.12 -30.17 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -68.81 -39.63 79.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 136' ' ' ILE . 3.3 mt -75.42 -56.39 4.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.91 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.49 ' CG ' ' HA ' ' A' ' 137' ' ' LEU . 5.8 ptp180 -56.91 -12.69 2.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 41.6 t -87.07 -21.84 25.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 39.2 mtp85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.85 -179.908 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.84 0.352 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -116.38 90.09 3.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.416 ' CB ' HD23 ' A' ' 56' ' ' LEU . 92.4 t -51.01 -73.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.113 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 pp -142.6 144.37 32.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.658 ' CG ' HD11 ' A' ' 53' ' ' LEU . 20.6 tt0 -126.58 132.78 51.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.6 133.64 9.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.82 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -60.0 133.65 56.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.665 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 2.0 t -151.43 178.52 9.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -126.13 145.67 50.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.4 HD11 ' CD1' ' A' ' 116' ' ' PHE . 22.4 tp -108.93 129.54 55.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.48 ' HD2' HD23 ' A' ' 117' ' ' LEU . 22.6 m-85 -129.97 139.86 51.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.642 ' CG1' ' CE1' ' A' ' 116' ' ' PHE . 10.7 m -131.34 149.77 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.46 ' CD1' ' C ' ' A' ' 39' ' ' PHE . 5.6 t80 -91.12 122.42 33.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 42' ' ' THR . 23.5 t0 -114.1 102.68 10.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 40' ' ' ASP . 2.8 ptpp? -35.53 -31.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.486 ' N ' ' O ' ' A' ' 40' ' ' ASP . 37.2 m -57.51 -49.01 77.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 40' ' ' ASP . 28.4 t -93.03 -24.87 18.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 68.51 36.47 2.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 t -163.9 -179.9 6.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 73.0 m95 -73.12 133.09 44.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 57.6 t -125.67 143.19 40.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -67.68 110.99 3.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.495 ' CD ' ' O ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -95.98 1.2 52.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 135.89 116.71 1.61 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.53 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -106.29 150.56 25.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.36 . . . . 0.0 110.86 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 164.46 -121.0 0.98 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.519 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.658 HD11 ' CG ' ' A' ' 31' ' ' GLN . 43.7 tp -115.4 148.85 38.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.822 0.344 . . . . 0.0 110.945 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.726 HD12 ' O ' ' A' ' 72' ' ' VAL . 3.6 tp -139.76 134.91 32.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.549 ' NH1' HG11 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -151.18 151.25 31.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.923 HD22 ' HB1' ' A' ' 131' ' ' ALA . 2.2 tp -89.94 109.1 20.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -92.49 149.02 21.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.518 ' CG ' HD21 ' A' ' 67' ' ' LEU . 0.9 OUTLIER -110.33 134.24 52.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.463 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 16.9 ptt? -135.43 148.24 49.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -82.72 135.71 34.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.087 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.451 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -72.46 150.66 43.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.83 -179.759 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.07 -56.5 2.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.146 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -80.87 -6.17 58.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -121.75 -25.07 5.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.451 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 61.39 6.76 8.54 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.512 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.412 HG21 ' HD3' ' A' ' 142' ' ' ARG . 12.9 t -93.59 174.66 7.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.816 0.341 . . . . 0.0 111.165 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.518 HD21 ' CG ' ' A' ' 58' ' ' ASP . 3.3 tm? -68.37 100.03 1.01 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.407 ' HG3' ' CB ' ' A' ' 61' ' ' SER . 5.4 mm-40 -90.95 166.88 12.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.466 ' HB3' HD12 ' A' ' 87' ' ' LEU . 3.9 m -149.38 162.61 39.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -153.2 154.01 33.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 1.091 HD21 HD21 ' A' ' 132' ' ' LEU . 9.7 mt -96.87 114.0 25.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.936 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.726 ' O ' HD12 ' A' ' 54' ' ' LEU . 2.2 t -112.71 148.99 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.166 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.568 ' SD ' HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -142.46 112.86 7.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 27.8 mtt-85 -100.68 136.42 40.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 26.0 p -78.71 169.62 17.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.132 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -86.0 141.49 29.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.45 -53.19 2.75 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.508 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 t -101.34 128.91 47.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.965 0.412 . . . . 0.0 110.83 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -81.4 41.36 0.61 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.937 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -88.92 142.83 27.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.655 HD13 ' H ' ' A' ' 82' ' ' ILE . 0.1 OUTLIER -97.81 138.22 35.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.655 ' H ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -128.37 -26.54 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.838 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.517 ' O ' HD11 ' A' ' 81' ' ' LEU . 5.7 tp -126.73 112.5 15.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.4 ' C ' ' OD1' ' A' ' 84' ' ' ASN . 34.9 t-20 -144.9 105.51 4.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.3 t -148.5 152.12 36.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.211 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.8 127.62 42.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.903 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.581 HD22 HD11 ' A' ' 136' ' ' ILE . 8.5 mt -58.28 136.82 57.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.579 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 48.3 p90 -120.63 155.46 33.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.792 ' HB1' ' HA ' ' A' ' 140' ' ' ARG . . . -47.87 -47.89 31.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.616 HE22 ' HB3' ' A' ' 89' ' ' ALA . 2.5 mp0 -82.03 29.04 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.515 ' HA ' ' CE2' ' A' ' 88' ' ' TRP . 1.4 tpp -69.04 133.78 48.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.899 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -98.36 109.53 22.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.946 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.8 tt -147.2 112.71 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.14 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -126.1 142.4 51.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.422 ' HE3' HG22 ' A' ' 125' ' ' THR . 11.2 tptm -77.09 96.73 4.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.96 -29.76 65.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.1 t -169.51 162.89 10.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -68.4 -7.89 35.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.835 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -126.54 -5.69 6.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.956 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 59.9 p -138.36 139.36 38.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.66 HD11 HG23 ' A' ' 125' ' ' THR . 3.8 mt -133.75 144.2 36.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.177 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.789 ' CD2' HD12 ' A' ' 117' ' ' LEU . 8.2 m170 -111.47 100.66 9.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.628 HD13 HD13 ' A' ' 71' ' ' LEU . 1.3 pp -116.43 144.69 23.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.434 ' O ' ' HE1' ' A' ' 91' ' ' MET . 44.4 p -99.74 126.73 45.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.187 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.529 ' HB3' ' CD2' ' A' ' 116' ' ' PHE . . . -137.21 160.07 40.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.095 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.588 ' HG3' HG22 ' A' ' 113' ' ' VAL . 24.8 mtt -89.41 156.22 18.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -89.62 156.95 18.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 80.6 p -78.28 -45.28 23.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.06 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -98.75 -45.41 6.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.74 -18.78 62.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.823 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 44.07 48.71 7.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -134.22 145.58 17.64 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.588 HG22 ' HG3' ' A' ' 106' ' ' MET . 61.0 t -81.95 111.79 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.893 0.378 . . . . 0.0 111.136 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.526 ' HG3' ' CE2' ' A' ' 116' ' ' PHE . 1.9 ptpt -117.94 167.24 11.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.905 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 54.5 t -85.67 105.8 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.172 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.642 ' CE1' ' CG1' ' A' ' 38' ' ' VAL . 64.4 m-85 -96.22 145.19 25.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.789 HD12 ' CD2' ' A' ' 102' ' ' HIS . 3.5 tp -108.35 156.91 18.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.851 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.504 HD12 ' HB ' ' A' ' 101' ' ' ILE . 46.6 mt -131.83 96.48 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.061 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.2 t -95.91 106.22 18.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.665 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -142.36 172.52 12.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.121 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 122' ' ' SER . 34.8 t -63.34 142.41 58.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 121' ' ' SER . 11.0 p -35.88 -46.07 0.44 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.818 -179.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.21 -53.8 26.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -51.88 -53.02 45.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.882 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.66 HG23 HD11 ' A' ' 101' ' ' ILE . 79.2 m -42.91 -60.83 1.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -43.13 -49.55 6.46 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -57.32 -68.49 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.36 . . . . 0.0 110.904 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.46 ' C ' HD13 ' A' ' 128' ' ' LEU . 2.9 tm? -44.35 -50.54 9.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.433 ' O ' ' N ' ' A' ' 131' ' ' ALA . 55.1 t80 -60.09 -71.68 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -40.38 -26.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.135 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.923 ' HB1' HD22 ' A' ' 56' ' ' LEU . . . -75.31 -64.02 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 1.091 HD21 HD21 ' A' ' 71' ' ' LEU . 5.5 mp -51.93 -58.82 5.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.487 ' CE1' HD11 ' A' ' 137' ' ' LEU . 22.3 t-80 -33.34 -64.84 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.852 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.595 ' CD2' ' NH2' ' A' ' 135' ' ' ARG . 3.1 t60 -49.7 -60.46 2.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.892 ' HD3' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -35.97 -31.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.898 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.581 HD11 HD22 ' A' ' 87' ' ' LEU . 3.1 mm -77.78 -53.76 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.487 HD11 ' CE1' ' A' ' 133' ' ' HIS . 22.1 mt -44.0 -26.86 0.32 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -74.25 -42.21 60.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.097 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.459 ' N ' HD23 ' A' ' 139' ' ' LEU . 3.7 mt -74.5 -58.92 2.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.792 ' HA ' ' HB1' ' A' ' 89' ' ' ALA . 6.0 ptm180 -47.79 -19.77 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 2.9 m -83.08 -40.32 20.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.873 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . 0.412 ' HD3' HG21 ' A' ' 66' ' ' THR . 6.8 mtm105 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.458 -0.06 0 CA-C-O 120.911 0.386 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.468 ' ND2' ' HB2' ' A' ' 55' ' ' ARG . 17.5 t-20 -75.63 128.91 36.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.0 m -103.6 -34.38 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.434 ' C ' HD12 ' A' ' 30' ' ' LEU . 3.1 pp -151.81 137.65 18.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.9 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.686 ' HG2' HD11 ' A' ' 53' ' ' LEU . 14.2 tt0 -138.29 123.59 19.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.17 141.44 26.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -63.31 129.37 39.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.939 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.967 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.5 t -149.8 174.33 12.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.602 ' HD2' ' CZ ' ' A' ' 37' ' ' PHE . 15.3 ttmt -116.76 151.83 35.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.0 tp -123.9 135.2 53.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.602 ' CZ ' ' HD2' ' A' ' 35' ' ' LYS . 73.7 m-85 -124.04 146.82 48.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.605 ' O ' HG13 ' A' ' 38' ' ' VAL . 5.5 p -128.51 117.11 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.539 ' CZ ' ' HA ' ' A' ' 44' ' ' GLN . 1.7 t80 -79.46 124.97 28.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 42' ' ' THR . 27.8 t0 -105.25 105.24 15.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.9 ptpp? -39.06 -29.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 40' ' ' ASP . 58.4 m -58.72 -48.68 80.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.203 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.8 t -90.81 -24.51 20.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.83 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.539 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 1.4 mm-40 65.84 37.02 5.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.9 t -153.32 171.73 18.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.55 ' CZ2' HD13 ' A' ' 117' ' ' LEU . 72.4 m95 -78.32 120.6 23.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 69.3 t -121.3 142.59 36.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 49' ' ' ARG . 4.1 tp10 -60.46 147.99 39.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.821 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.403 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -132.42 -45.59 0.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.896 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -177.41 129.66 1.49 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.508 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.12 139.72 52.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.88 0.371 . . . . 0.0 110.935 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -178.61 -100.83 0.14 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.526 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.686 HD11 ' HG2' ' A' ' 31' ' ' GLN . 19.8 tp -138.94 121.21 15.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.837 0.351 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.804 HD12 ' O ' ' A' ' 72' ' ' VAL . 8.9 tp -96.97 142.19 29.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.66 ' O ' HG22 ' A' ' 72' ' ' VAL . 10.2 ptt85 -150.86 148.25 28.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.437 HD13 ' HD3' ' A' ' 135' ' ' ARG . 5.5 tp -106.36 112.83 26.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.944 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -98.75 142.75 29.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -107.01 129.96 54.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.506 ' O ' ' N ' ' A' ' 68' ' ' GLN . 20.9 ptt? -132.84 153.8 50.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.6 151.6 30.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.415 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.6 OUTLIER -88.58 154.64 20.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.823 -179.762 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.11 -51.6 3.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.143 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.86 -6.82 59.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.453 ' HB3' ' NE ' ' A' ' 142' ' ' ARG . 5.5 m-20 -122.53 -18.78 6.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.415 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 53.9 14.63 4.2 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.4 t -102.49 173.89 6.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.806 0.336 . . . . 0.0 111.141 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 67' ' ' LEU . 2.2 tm? -67.18 100.49 0.79 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.959 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.506 ' N ' ' O ' ' A' ' 59' ' ' MET . 5.4 mm-40 -88.5 168.92 12.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.7 m -147.41 167.34 24.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -160.94 162.75 32.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.951 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.457 HD21 HH22 ' A' ' 135' ' ' ARG . 11.3 mt -95.35 157.07 16.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.938 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.804 ' O ' HD12 ' A' ' 54' ' ' LEU . 0.9 OUTLIER -155.03 153.96 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 179.861 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.671 ' O ' HD13 ' A' ' 82' ' ' ILE . 8.1 tpt -155.15 107.29 2.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.872 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 58.7 mtm180 -100.31 125.02 46.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.564 HG23 HD12 ' A' ' 82' ' ' ILE . 9.1 p -69.71 145.59 52.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.089 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 77' ' ' GLY . 9.0 pt20 -69.25 -36.83 77.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.961 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 76' ' ' GLN . . . -37.67 -74.67 0.1 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.465 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 79' ' ' LEU . 7.0 t -132.44 48.49 2.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.864 0.364 . . . . 0.0 110.847 -179.729 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 78' ' ' SER . 4.2 mm? 35.14 47.5 0.29 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -94.95 157.65 15.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.758 HD13 ' N ' ' A' ' 82' ' ' ILE . 0.3 OUTLIER -102.02 141.37 34.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.758 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -134.88 -30.14 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.779 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.602 ' O ' HD11 ' A' ' 81' ' ' LEU . 7.6 tp -120.04 125.69 48.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -158.42 105.07 1.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.472 HG21 ' HB1' ' A' ' 105' ' ' ALA . 6.9 t -140.9 154.99 46.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.472 ' HG3' ' CE ' ' A' ' 59' ' ' MET . 33.8 ttmt -98.35 124.12 42.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.925 HD21 ' NH2' ' A' ' 135' ' ' ARG . 8.9 mt -57.0 143.02 39.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.577 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 48.2 p90 -125.81 157.05 38.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.24 -46.59 54.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.577 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 38.8 mm-40 -82.51 31.42 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.864 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.651 ' CE ' HD23 ' A' ' 87' ' ' LEU . 1.0 OUTLIER -69.6 141.18 53.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.827 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -110.0 125.45 52.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.845 HD12 HD23 ' A' ' 132' ' ' LEU . 1.1 tt -152.02 130.55 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -139.08 138.43 37.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.1 tptm -88.43 98.2 11.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.65 -42.15 87.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.1 t -152.66 175.91 12.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -77.89 1.41 20.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -126.45 -25.91 3.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 85.5 p -112.94 151.62 30.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.82 ' HB ' HD12 ' A' ' 118' ' ' ILE . 9.2 mt -140.51 136.69 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.077 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.61 ' CD2' HD12 ' A' ' 117' ' ' LEU . 11.5 m170 -110.1 117.97 35.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.493 ' O ' HG23 ' A' ' 115' ' ' VAL . 3.2 pt -136.55 153.51 30.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.09 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 14.8 p -102.8 119.62 39.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.472 ' HB1' HG21 ' A' ' 85' ' ' THR . . . -138.2 161.29 37.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.798 ' HG3' HG22 ' A' ' 113' ' ' VAL . 24.5 mtt -86.24 179.22 6.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.489 ' OD1' ' CD ' ' A' ' 114' ' ' LYS . 0.8 OUTLIER -117.7 166.83 11.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 72.3 p -91.86 -41.71 10.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -101.26 -45.23 5.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -64.17 -35.97 82.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.826 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 63.11 41.19 8.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.998 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -135.29 148.99 19.82 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.539 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.798 HG22 ' HG3' ' A' ' 106' ' ' MET . 50.7 t -83.25 94.07 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.93 0.395 . . . . 0.0 111.136 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.583 ' HG3' ' CE1' ' A' ' 116' ' ' PHE . 1.4 ptpm? -110.74 154.18 24.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 103' ' ' ILE . 7.3 p -93.25 118.39 38.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.583 ' CE1' ' HG3' ' A' ' 114' ' ' LYS . 82.9 m-85 -98.2 177.8 5.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.61 HD12 ' CD2' ' A' ' 102' ' ' HIS . 3.9 tp -123.83 157.17 34.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.964 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.82 HD12 ' HB ' ' A' ' 101' ' ' ILE . 4.9 mt -134.25 98.17 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 23.1 t -98.14 123.66 42.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.967 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -157.61 177.76 11.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.152 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 48.1 m -63.78 147.07 52.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.914 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 52.3 p -40.54 -46.47 2.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 46.2 tptt -67.45 -68.97 0.34 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -42.94 -66.84 0.33 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.845 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.721 ' OG1' ' HB3' ' A' ' 120' ' ' ALA . 97.7 m -40.05 -41.36 1.22 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.215 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -61.25 -43.46 99.35 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.458 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -54.81 -57.92 9.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.836 0.351 . . . . 0.0 110.923 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.718 ' CD2' HG21 ' A' ' 118' ' ' ILE . 30.9 tp -49.71 -67.66 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -39.61 -67.28 0.23 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -38.26 -35.51 0.17 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.03 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 128' ' ' LEU . . . -76.09 -47.12 25.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.845 HD23 HD12 ' A' ' 93' ' ' ILE . 10.6 mp -44.65 -69.13 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.469 ' C ' ' O ' ' A' ' 132' ' ' LEU . 8.0 t-160 -32.97 -60.91 0.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.818 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.471 ' HA ' HD12 ' A' ' 137' ' ' LEU . 29.5 t60 -44.89 -63.66 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.925 ' NH2' HD21 ' A' ' 87' ' ' LEU . 50.6 mtm180 -36.11 -40.91 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.922 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.538 ' N ' HD13 ' A' ' 136' ' ' ILE . 1.8 mm -72.28 -54.82 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.207 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 134' ' ' HIS . 70.9 mt -36.16 -45.1 0.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -57.99 -42.64 85.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 136' ' ' ILE . 1.7 mt -72.44 -51.51 19.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 140' ' ' ARG . 1.1 mtp-105 -60.6 -32.11 71.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 23.2 t -62.53 -20.86 65.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . 0.453 ' NE ' ' HB3' ' A' ' 64' ' ' ASP . 8.1 mtp-105 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.826 0.346 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -138.53 154.79 48.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.945 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.568 HG21 HD23 ' A' ' 56' ' ' LEU . 2.9 m -120.93 -39.65 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.456 ' O ' HD12 ' A' ' 30' ' ' LEU . 3.4 pp -152.75 131.56 12.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.85 ' CG ' HD11 ' A' ' 53' ' ' LEU . 22.0 tt0 -128.36 139.32 52.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.542 ' CE ' HD23 ' A' ' 128' ' ' LEU . 1.0 OUTLIER -161.32 149.26 15.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.855 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -77.69 118.86 20.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.969 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.8 t -139.65 174.91 10.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 27.5 mtpt -113.87 153.44 29.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.6 tp -123.13 117.89 26.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -112.55 123.58 50.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 38' ' ' VAL . 7.0 p -105.37 129.13 58.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.546 ' CZ ' ' HA ' ' A' ' 44' ' ' GLN . 18.5 t80 -79.37 111.3 15.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 42' ' ' THR . 31.6 t0 -95.78 106.42 18.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.6 tttt -41.9 -23.93 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 40' ' ' ASP . 36.5 m -61.76 -47.05 86.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.111 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.4 t -96.37 -23.55 16.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.546 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 1.7 mm-40 69.67 31.39 3.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.982 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.3 t -153.21 -177.22 6.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.559 ' CZ2' HD13 ' A' ' 117' ' ' LEU . 78.2 m95 -75.67 123.48 25.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 56.5 t -118.94 125.21 74.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.131 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -49.66 108.37 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.66 -32.9 13.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 163.64 132.73 1.38 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.541 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 29.8 ptt180 -121.31 137.01 54.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.864 0.364 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.415 ' N ' ' CE ' ' A' ' 73' ' ' MET . . . -176.28 -122.95 0.74 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.85 HD11 ' CG ' ' A' ' 31' ' ' GLN . 33.0 tp -114.5 126.51 55.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.827 0.346 . . . . 0.0 110.925 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.704 ' CD2' HD22 ' A' ' 128' ' ' LEU . 7.0 tp -112.12 134.94 53.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.966 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.7 ptt-85 -151.27 150.26 30.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.843 HD22 ' HB1' ' A' ' 131' ' ' ALA . 5.4 tp -97.89 108.05 20.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.2 p-10 -92.22 145.72 24.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -101.51 138.0 39.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.832 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.5 ' O ' ' N ' ' A' ' 68' ' ' GLN . 24.2 ptt? -151.4 142.78 23.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.24 166.9 20.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.075 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.522 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 1.1 t -87.67 166.73 14.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.815 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.3 t -99.93 -45.59 5.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.129 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -95.18 -11.31 28.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 66' ' ' THR . 25.3 t0 -123.23 -8.19 8.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.522 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 44.03 20.22 0.15 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.502 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 61' ' ' SER . 0.7 OUTLIER -94.12 174.95 6.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 111.088 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.411 HD22 ' HA ' ' A' ' 67' ' ' LEU . 1.7 tm? -65.74 99.2 0.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 59' ' ' MET . 5.9 mm100 -99.54 171.31 8.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 72.9 m -148.45 158.97 44.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.448 ' HB3' ' CE ' ' A' ' 59' ' ' MET . 1.8 ptp180 -146.6 155.97 42.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.685 HD21 HD21 ' A' ' 132' ' ' LEU . 12.0 mt -96.21 114.61 26.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.558 HG13 HD21 ' A' ' 81' ' ' LEU . 2.1 t -114.46 147.66 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.739 ' SD ' HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -145.28 115.15 7.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 29.4 mtt180 -105.17 131.23 52.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.67 HG23 HD12 ' A' ' 82' ' ' ILE . 1.4 p -73.07 160.61 31.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.68 30.33 1.37 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.936 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -108.36 -78.02 1.05 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.558 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 39.7 p -128.51 37.76 4.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.861 0.363 . . . . 0.0 110.838 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.8 mt 53.38 42.91 31.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -93.29 140.67 29.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.565 HD13 ' N ' ' A' ' 82' ' ' ILE . 0.1 OUTLIER -90.59 132.43 35.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.739 HD11 ' SD ' ' A' ' 73' ' ' MET . 0.2 OUTLIER -121.65 -24.13 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.061 179.878 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.571 HD23 ' HB2' ' A' ' 73' ' ' MET . 7.2 tp -129.18 107.02 9.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.987 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -135.06 98.65 4.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.423 HG21 ' HB1' ' A' ' 105' ' ' ALA . 7.6 t -139.38 152.96 47.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.458 ' HD3' ' NE2' ' A' ' 68' ' ' GLN . 19.1 ttmt -100.42 123.02 44.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.939 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.776 HD23 ' CE ' ' A' ' 91' ' ' MET . 8.2 mt -56.36 149.53 16.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.573 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 48.1 p90 -134.9 153.7 51.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -45.34 -48.96 13.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.074 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.573 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 3.4 mp0 -82.22 29.65 0.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.959 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.776 ' CE ' HD23 ' A' ' 87' ' ' LEU . 3.2 tpp -70.69 135.08 48.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -95.4 115.84 27.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.0 tt -150.95 116.39 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.088 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -145.91 117.45 8.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.783 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.559 ' CD ' ' CD2' ' A' ' 129' ' ' TYR . 3.9 tttm -58.34 143.44 44.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.823 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -118.6 -18.24 9.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.151 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 6.9 t -162.18 150.8 15.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.446 ' CD ' ' HB2' ' A' ' 122' ' ' SER . 3.2 tt0 -55.26 -18.32 6.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -124.88 26.84 6.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.86 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.435 ' C ' HG13 ' A' ' 101' ' ' ILE . 0.8 OUTLIER -159.89 152.52 21.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.557 HD11 HG23 ' A' ' 125' ' ' THR . 7.0 mt -144.08 151.05 16.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.136 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.594 ' CD2' HD12 ' A' ' 117' ' ' LEU . 8.0 m170 -115.49 101.47 8.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.482 HD13 HD13 ' A' ' 71' ' ' LEU . 1.1 pp -123.66 148.06 27.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 64.8 p -102.95 131.15 50.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.165 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.423 ' HB1' HG21 ' A' ' 85' ' ' THR . . . -138.37 168.74 19.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.13 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 28.4 mtt -97.69 144.58 27.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -77.12 158.87 30.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 80.7 p -79.83 -44.28 20.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -97.07 -47.63 5.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -67.13 -18.48 65.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 46.87 32.09 1.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -121.72 159.51 16.29 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.426 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 21.6 t -89.31 137.09 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.92 0.391 . . . . 0.0 111.17 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -143.91 174.43 10.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 41.9 t -93.75 104.93 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -96.84 150.95 20.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.594 HD12 ' CD2' ' A' ' 102' ' ' HIS . 4.9 tp -117.95 154.79 31.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.646 HG22 ' SG ' ' A' ' 34' ' ' CYS . 6.5 mt -133.42 101.7 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.6 t -90.52 102.46 15.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.822 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.969 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -131.9 160.33 36.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.118 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.9 m -48.91 158.89 0.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.446 ' HB2' ' CD ' ' A' ' 98' ' ' GLU . 34.3 p -46.12 -39.79 9.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -83.63 -59.49 2.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.421 ' OD1' ' CB ' ' A' ' 32' ' ' MET . 2.6 m-20 -39.71 -45.63 1.74 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.557 HG23 HD11 ' A' ' 101' ' ' ILE . 90.8 m -57.52 -53.8 54.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -58.98 -26.92 61.51 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.478 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -67.46 -67.56 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.825 0.345 . . . . 0.0 110.944 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.803 ' C ' HD12 ' A' ' 128' ' ' LEU . 0.4 OUTLIER -59.54 -44.48 93.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.662 ' N ' HD12 ' A' ' 128' ' ' LEU . 11.1 t80 -55.23 -46.8 75.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.72 -28.73 69.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.118 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.843 ' HB1' HD22 ' A' ' 56' ' ' LEU . . . -74.5 -65.63 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.087 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.685 HD21 HD21 ' A' ' 71' ' ' LEU . 5.6 mp -38.41 -66.0 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.452 ' C ' ' O ' ' A' ' 132' ' ' LEU . 7.0 t-80 -33.95 -58.4 0.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.517 ' CD2' HH21 ' A' ' 135' ' ' ARG . 2.7 t60 -52.68 -54.98 25.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.746 ' HD3' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -42.64 -22.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 -179.89 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.512 HD12 ' O ' ' A' ' 132' ' ' LEU . 3.7 mp -95.26 -49.4 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.458 ' HA ' ' CG ' ' A' ' 140' ' ' ARG . 25.7 mt -47.4 -29.32 2.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -73.7 -39.78 64.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.026 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.458 ' N ' HD23 ' A' ' 139' ' ' LEU . 1.3 mt -73.44 -54.4 8.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.458 ' CG ' ' HA ' ' A' ' 137' ' ' LEU . 5.3 ptm180 -54.54 -17.95 3.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.1 m -77.84 -31.48 51.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 16.5 mtt-85 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.9 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.7 t . . . . . 0 C--O 1.23 0.032 0 CA-C-O 120.994 0.426 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -116.25 114.77 24.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.567 HG11 HD23 ' A' ' 56' ' ' LEU . 3.9 p -91.0 -38.1 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.126 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.45 ' C ' HD12 ' A' ' 30' ' ' LEU . 1.3 pp -160.75 132.94 6.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 1.083 ' CD ' HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -134.2 148.57 50.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.7 ptm -166.76 145.94 5.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -69.28 123.88 22.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.61 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 2.3 t -142.64 173.67 11.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -115.01 159.05 21.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.636 HD23 ' CG ' ' A' ' 49' ' ' ARG . 14.2 tp -128.43 128.96 45.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.468 ' HD2' HD23 ' A' ' 117' ' ' LEU . 17.8 m-85 -125.9 124.25 40.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.463 ' CG2' ' HD3' ' A' ' 114' ' ' LYS . 7.3 p -109.25 139.45 32.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.161 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -89.48 137.95 31.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 42' ' ' THR . 5.5 t70 -127.03 102.11 6.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.808 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 40' ' ' ASP . 1.1 ttmm -38.07 -27.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 40' ' ' ASP . 31.9 m -61.3 -47.68 84.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.0 t -94.65 -23.35 17.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 66.4 36.83 4.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.0 t -152.6 179.05 8.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 74.5 m95 -82.17 98.33 8.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.456 ' O ' HG12 ' A' ' 38' ' ' VAL . 70.5 t -87.25 118.42 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -49.9 121.12 4.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.636 ' CG ' HD23 ' A' ' 36' ' ' LEU . 14.2 tpp180 -93.63 -45.26 7.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 166.73 119.29 0.47 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.471 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.8 145.06 34.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 0.0 110.883 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.529 ' N ' ' CE ' ' A' ' 73' ' ' MET . . . -179.39 -118.38 0.58 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.503 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.083 HD11 ' CD ' ' A' ' 31' ' ' GLN . 51.9 tp -114.2 115.9 28.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 0.0 110.903 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.526 HD12 ' O ' ' A' ' 72' ' ' VAL . 5.4 tp -105.26 133.96 49.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.483 ' HB3' ' CG ' ' A' ' 31' ' ' GLN . 2.1 ptm180 -151.25 152.75 33.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.567 HD23 HG11 ' A' ' 29' ' ' VAL . 3.0 tp -95.68 112.82 24.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -95.65 129.55 42.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.26 107.01 19.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.492 ' O ' ' N ' ' A' ' 68' ' ' GLN . 20.7 ptt? -110.11 156.01 21.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -81.43 157.14 25.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.088 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.425 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 1.0 OUTLIER -91.01 152.57 20.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.888 -179.791 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.29 -47.65 5.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -88.02 -8.06 56.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.909 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -122.39 -18.92 6.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.425 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 57.12 10.47 5.18 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.495 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.2 t -99.6 174.63 6.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.754 0.311 . . . . 0.0 111.189 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -66.33 104.24 1.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.492 ' N ' ' O ' ' A' ' 59' ' ' MET . 5.4 mm-40 -95.71 167.16 11.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.596 ' HB2' HD12 ' A' ' 87' ' ' LEU . 67.1 m -131.27 163.42 27.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -152.23 158.45 42.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.442 HD21 HH22 ' A' ' 135' ' ' ARG . 9.4 mt -106.09 112.46 25.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.526 ' O ' HD12 ' A' ' 54' ' ' LEU . 2.2 t -117.22 146.87 21.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.083 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.529 ' CE ' ' N ' ' A' ' 52' ' ' GLY . 10.6 tpt -153.15 108.95 3.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -103.09 132.32 49.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.479 HG23 HD12 ' A' ' 82' ' ' ILE . 21.1 p -72.26 149.92 44.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.62 -35.27 72.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.945 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -37.86 -91.38 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.469 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 79' ' ' LEU . 15.2 m -113.69 42.95 1.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 0.0 110.877 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 78' ' ' SER . 14.1 mt 36.96 50.22 0.86 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 41.7 ttt85 -101.09 148.27 25.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.888 HD13 ' N ' ' A' ' 82' ' ' ILE . 0.6 OUTLIER -91.79 141.03 29.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.888 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -134.96 -31.12 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.914 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.686 ' O ' HD11 ' A' ' 81' ' ' LEU . 8.8 tp -116.89 135.36 53.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.444 ' OD1' ' C ' ' A' ' 84' ' ' ASN . 8.9 t-20 -169.29 105.1 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 4.3 t -146.94 144.15 29.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.184 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.427 ' CD ' ' O ' ' A' ' 87' ' ' LEU . 0.6 OUTLIER -86.4 128.47 34.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.989 HD11 ' CZ ' ' A' ' 135' ' ' ARG . 20.5 mt -57.68 148.28 25.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.581 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 47.7 p90 -131.8 152.41 50.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.413 ' C ' ' H ' ' A' ' 91' ' ' MET . . . -46.21 -49.17 17.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.103 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.581 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 16.6 mp0 -78.72 26.91 0.23 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.56 ' CE ' HD23 ' A' ' 87' ' ' LEU . 0.7 OUTLIER -66.55 140.59 57.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -110.76 124.78 52.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.859 HD12 HD23 ' A' ' 132' ' ' LEU . 1.4 tt -154.64 127.72 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.043 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -136.35 141.05 43.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.537 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 12.3 tptm -83.35 101.21 11.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.46 ' HB2' ' CD2' ' A' ' 102' ' ' HIS . . . -65.93 -50.54 64.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.5 t -146.64 -178.68 6.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -78.71 2.96 17.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.852 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.6 mttt -132.7 -33.13 1.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.9 m -105.83 152.55 23.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.665 ' CD1' HD11 ' A' ' 128' ' ' LEU . 43.2 mt -143.81 146.03 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.535 ' CD2' HD12 ' A' ' 117' ' ' LEU . 12.2 m170 -115.83 114.99 25.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.604 HG22 HG13 ' A' ' 93' ' ' ILE . 1.7 pp -130.52 149.38 33.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 13.7 p -96.82 121.48 38.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -139.48 154.62 47.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.835 ' HG3' HG22 ' A' ' 113' ' ' VAL . 6.8 mtt -83.99 170.33 14.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -109.57 166.0 11.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 50.5 p -89.81 -39.56 13.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.084 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -100.09 -54.46 2.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 111' ' ' GLN . 4.6 t70 -64.86 -8.79 16.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.8 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 110' ' ' ASP . 16.1 mt-30 35.63 46.3 0.3 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -130.62 155.13 21.01 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.515 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.835 HG22 ' HG3' ' A' ' 106' ' ' MET . 54.7 t -90.52 98.73 8.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.844 0.354 . . . . 0.0 111.153 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.577 ' HG3' ' CE1' ' A' ' 116' ' ' PHE . 9.4 ptpt -116.66 148.11 41.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.961 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.431 ' O ' HG13 ' A' ' 115' ' ' VAL . 4.4 p -88.03 117.12 31.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.577 ' CE1' ' HG3' ' A' ' 114' ' ' LYS . 87.4 m-85 -96.45 177.52 5.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.535 HD12 ' CD2' ' A' ' 102' ' ' HIS . 3.7 tp -122.6 156.65 33.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.928 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.626 HG21 HD22 ' A' ' 128' ' ' LEU . 10.2 mt -134.76 102.22 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 45.4 t -99.58 113.48 25.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.61 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -143.47 172.65 12.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.058 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 122' ' ' SER . 3.4 m -60.68 147.28 42.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 121' ' ' SER . 13.3 p -33.8 -54.33 0.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.2 tmtm? -65.47 -62.93 1.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -40.19 -60.93 0.96 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.544 HG23 HD11 ' A' ' 101' ' ' ILE . 83.9 m -44.99 -37.25 3.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.076 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -69.87 -36.87 74.56 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.452 ' NE2' ' HA ' ' A' ' 127' ' ' GLN . 3.2 mm-40 -62.44 -60.7 3.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.851 0.358 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.763 ' O ' HD13 ' A' ' 132' ' ' LEU . 1.4 pp -54.36 -42.02 69.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.922 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.537 ' CZ ' ' HB2' ' A' ' 95' ' ' LYS . 25.0 t80 -61.08 -66.54 0.52 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -40.2 -33.66 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.129 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -75.66 -54.05 7.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.121 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.859 HD23 HD12 ' A' ' 93' ' ' ILE . 9.0 mp -39.7 -68.97 0.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.437 ' C ' ' O ' ' A' ' 132' ' ' LEU . 10.0 t-160 -35.69 -66.12 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 135' ' ' ARG . 16.2 t60 -38.5 -63.54 0.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.989 ' CZ ' HD11 ' A' ' 87' ' ' LEU . 50.8 mtm180 -36.94 -44.75 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.502 ' N ' HD13 ' A' ' 136' ' ' ILE . 2.8 mm -62.77 -51.23 74.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.433 ' HA ' ' CG ' ' A' ' 140' ' ' ARG . 20.1 mt -47.69 -39.36 17.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.951 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.63 -27.89 69.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.038 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.459 HD11 ' CB ' ' A' ' 87' ' ' LEU . 5.1 mt -82.59 -55.57 4.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.848 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 140' ' ' ARG . 0.0 OUTLIER -60.37 -15.3 24.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.847 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 42.3 t -82.23 -18.03 43.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . 0.404 ' CB ' HH11 ' A' ' 142' ' ' ARG . 4.2 mtm105 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.432 ' CB ' ' OD1' ' A' ' 58' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.864 0.364 . . . . 0.0 110.88 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -114.56 84.63 2.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.797 HG11 HD23 ' A' ' 56' ' ' LEU . 74.2 t -45.41 -62.5 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.177 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.435 ' O ' HD12 ' A' ' 30' ' ' LEU . 4.2 pp -153.5 138.53 17.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.962 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.719 ' NE2' HD21 ' A' ' 53' ' ' LEU . 46.9 tt0 -123.3 123.26 40.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.641 ' HE1' ' CB ' ' A' ' 120' ' ' ALA . 0.1 OUTLIER -156.2 128.39 7.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -55.37 135.6 50.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.897 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.6 t -151.21 174.02 13.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -114.49 121.42 43.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.503 HD22 ' HG2' ' A' ' 73' ' ' MET . 10.7 tp -103.5 115.59 30.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -110.43 163.38 13.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.629 HG22 ' CD2' ' A' ' 116' ' ' PHE . 3.8 t -124.85 151.18 30.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.536 ' HB2' ' CZ3' ' A' ' 46' ' ' TRP . 66.7 t80 -117.05 134.99 54.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 42' ' ' THR . 53.4 t0 -121.91 95.08 4.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 40' ' ' ASP . 4.6 ptpt -33.72 -34.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 40' ' ' ASP . 58.7 m -56.68 -50.09 73.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.21 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 40' ' ' ASP . 5.1 t -87.69 -27.98 22.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.406 ' NE2' ' O ' ' A' ' 41' ' ' LYS . 1.5 mm-40 67.05 35.65 4.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.978 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 t -146.47 177.75 8.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.757 ' CZ2' HD13 ' A' ' 117' ' ' LEU . 71.6 m95 -93.83 111.62 23.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.846 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 84.9 t -102.78 126.0 57.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.187 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -52.91 127.71 24.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -112.6 -49.27 2.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 174.09 122.91 0.7 Allowed Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.454 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.89 159.05 23.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.898 0.38 . . . . 0.0 110.895 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.437 ' N ' ' CE ' ' A' ' 73' ' ' MET . . . 164.35 -106.47 0.27 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.515 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.719 HD21 ' NE2' ' A' ' 31' ' ' GLN . 27.4 tp -120.56 137.75 54.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.864 0.364 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.459 ' H ' HD12 ' A' ' 53' ' ' LEU . 6.0 tp -121.31 140.78 51.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.496 ' CZ ' HG21 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -151.5 159.4 44.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.947 HD22 ' HB1' ' A' ' 131' ' ' ALA . 10.0 tp -115.86 108.28 16.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -92.47 153.38 19.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.432 ' OD1' ' CB ' ' A' ' 27' ' ' SER . 0.6 OUTLIER -116.73 136.95 52.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.88 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.513 ' O ' ' N ' ' A' ' 68' ' ' GLN . 22.2 ptt? -150.14 147.83 28.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.08 170.75 12.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 66' ' ' THR . 0.9 OUTLIER -92.77 165.84 12.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.851 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.453 HG23 ' N ' ' A' ' 63' ' ' ASP . 3.6 t -100.22 -47.75 4.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.174 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.453 ' N ' HG23 ' A' ' 62' ' ' THR . 2.5 m-20 -91.69 -17.32 25.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 66' ' ' THR . 10.9 t0 -116.91 -6.6 11.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.833 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.508 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 42.7 20.87 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.489 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.509 ' O ' ' N ' ' A' ' 61' ' ' SER . 0.8 OUTLIER -97.14 174.86 6.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.771 0.32 . . . . 0.0 111.184 -179.882 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.599 ' C ' HD13 ' A' ' 67' ' ' LEU . 2.5 tm? -64.74 99.83 0.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.513 ' N ' ' O ' ' A' ' 59' ' ' MET . 4.7 mm100 -96.82 172.01 8.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.959 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 1.003 ' HB2' HD12 ' A' ' 87' ' ' LEU . 8.7 m -145.53 167.09 23.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.809 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.455 ' HB3' ' HE2' ' A' ' 59' ' ' MET . 3.3 ptp180 -154.97 150.74 27.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.942 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.754 HD21 HD21 ' A' ' 132' ' ' LEU . 9.2 mt -92.66 147.22 23.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.496 HG21 ' CZ ' ' A' ' 55' ' ' ARG . 0.9 OUTLIER -146.63 152.35 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.192 179.847 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.503 ' HG2' HD22 ' A' ' 36' ' ' LEU . 10.8 tpt -154.55 113.31 3.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.91 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.492 ' CG ' ' NH2' ' A' ' 55' ' ' ARG . 21.1 mtp180 -97.02 143.09 28.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.808 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.559 HG23 HD12 ' A' ' 82' ' ' ILE . 6.5 p -88.49 145.36 25.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.201 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -74.83 116.8 15.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 144.56 -72.06 0.36 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 79' ' ' LEU . 7.4 t -124.83 34.77 4.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.859 0.362 . . . . 0.0 110.81 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 78' ' ' SER . 80.9 mt 37.28 47.81 0.73 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -87.3 134.79 33.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.733 HD13 ' N ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -92.23 140.73 29.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.733 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -132.07 -28.67 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.853 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.662 ' O ' HD11 ' A' ' 81' ' ' LEU . 7.4 tp -118.68 119.76 35.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -150.9 105.0 3.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.627 HG21 ' HB1' ' A' ' 105' ' ' ALA . 12.0 t -141.4 149.69 41.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.449 ' HD3' ' NE2' ' A' ' 68' ' ' GLN . 9.1 ttmm -92.47 119.67 32.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 1.003 HD12 ' HB2' ' A' ' 69' ' ' SER . 25.5 mt -56.91 146.43 26.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.567 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 44.7 p90 -127.55 160.95 29.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.972 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.41 -44.99 69.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.127 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.567 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 71.4 mm-40 -84.63 32.11 0.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.468 ' HA ' ' NE1' ' A' ' 88' ' ' TRP . 1.5 tpp -67.41 139.19 57.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -105.98 117.68 34.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.8 tt -149.31 121.02 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.62 150.36 40.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.844 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 16.7 tptp -99.43 98.17 9.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.26 -43.27 82.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.078 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.4 t -167.83 174.81 7.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -77.09 8.26 4.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.949 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -121.58 -39.3 2.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.969 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.423 ' C ' HG13 ' A' ' 101' ' ' ILE . 73.7 p -119.51 154.72 33.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.822 HD12 HD11 ' A' ' 128' ' ' LEU . 50.8 mt -145.75 144.9 20.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.717 ' CD2' HD12 ' A' ' 117' ' ' LEU . 9.4 m170 -114.33 132.66 56.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.63 HD13 ' CD1' ' A' ' 71' ' ' LEU . 1.5 pp -144.32 147.31 19.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.0 p -97.38 123.35 41.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.627 ' HB1' HG21 ' A' ' 85' ' ' THR . . . -142.07 159.4 42.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.102 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.805 ' HG3' HG22 ' A' ' 113' ' ' VAL . 8.9 mtt -87.53 147.47 25.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -84.22 165.44 18.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.8 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 43.2 p -90.68 -41.47 11.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.075 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -100.43 -45.14 5.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.23 -25.61 68.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 54.73 40.71 32.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -133.81 158.82 23.47 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.474 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.805 HG22 ' HG3' ' A' ' 106' ' ' MET . 46.4 t -91.8 99.23 9.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.905 0.383 . . . . 0.0 111.125 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.575 ' HG3' ' CE1' ' A' ' 116' ' ' PHE . 3.2 ptpt -115.34 161.76 18.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.407 HG13 ' O ' ' A' ' 115' ' ' VAL . 4.4 p -101.56 119.45 49.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.629 ' CD2' HG22 ' A' ' 38' ' ' VAL . 34.1 m-85 -96.94 177.76 5.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.757 HD13 ' CZ2' ' A' ' 46' ' ' TRP . 4.5 tp -125.9 144.42 50.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.469 HG21 HD22 ' A' ' 128' ' ' LEU . 19.4 mt -124.52 105.81 15.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.6 t -106.19 126.69 52.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.831 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.897 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -153.61 178.99 9.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.129 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 122' ' ' SER . 24.2 t -56.41 143.88 33.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.854 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 121' ' ' SER . 3.2 p -36.36 -41.36 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -82.28 -61.75 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.939 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -38.04 -39.07 0.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.585 ' CG2' HD11 ' A' ' 101' ' ' ILE . 36.1 m -58.58 -66.66 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -38.58 -34.65 0.27 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.492 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -65.93 -69.51 0.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.859 0.361 . . . . 0.0 110.866 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.822 HD11 HD12 ' A' ' 101' ' ' ILE . 1.7 pp -45.8 -38.49 7.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.539 ' HB2' HD13 ' A' ' 101' ' ' ILE . 38.2 t80 -64.93 -65.57 0.65 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -41.29 -38.27 1.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.947 ' HB1' HD22 ' A' ' 56' ' ' LEU . . . -63.49 -72.74 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.05 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.754 HD21 HD21 ' A' ' 71' ' ' LEU . 10.8 mp -39.4 -67.54 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -40.9 -66.74 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.812 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 55.2 t60 -43.77 -51.6 7.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.752 ' HD2' HD21 ' A' ' 56' ' ' LEU . 2.6 mmp_? -48.01 -32.72 6.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' A' ' 139' ' ' LEU . 3.6 mm -75.78 -53.89 14.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 43.0 mt -39.36 -37.92 0.49 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.98 -39.79 90.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 136' ' ' ILE . 2.6 mt -72.45 -47.64 47.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 12.4 mtp180 -59.63 -42.41 92.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.4 m -55.3 -26.03 37.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . 0.464 ' CZ ' ' HB ' ' A' ' 66' ' ' THR . 39.8 mtt-85 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.93 0.395 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -116.59 123.11 46.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.4 HG21 HD23 ' A' ' 56' ' ' LEU . 16.7 m -93.51 -27.58 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.188 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.447 ' O ' HD12 ' A' ' 30' ' ' LEU . 2.5 pp -169.35 126.97 0.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.896 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 1.1 ' CD ' HD11 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -129.94 142.75 50.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.35 139.06 5.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -61.51 129.84 43.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.429 ' SG ' HG22 ' A' ' 118' ' ' ILE . 4.8 t -148.84 172.69 14.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.601 ' HD2' ' CZ ' ' A' ' 37' ' ' PHE . 17.2 ttmt -113.9 149.43 35.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.429 HD23 ' HB3' ' A' ' 49' ' ' ARG . 10.8 tp -118.98 125.3 49.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.601 ' CZ ' ' HD2' ' A' ' 35' ' ' LYS . 76.9 m-85 -112.96 141.91 46.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.952 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.534 ' O ' HG13 ' A' ' 38' ' ' VAL . 5.1 p -126.99 122.46 60.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.202 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.534 ' CE2' ' HA ' ' A' ' 41' ' ' LYS . 66.2 t80 -62.96 137.61 58.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 42' ' ' THR . 39.6 t0 -119.88 86.12 2.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.821 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.534 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -33.37 -33.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.92 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.508 ' N ' ' O ' ' A' ' 40' ' ' ASP . 23.2 m -60.72 -49.66 76.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.133 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 40' ' ' ASP . 42.4 t -94.44 -8.54 38.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.819 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 41' ' ' LYS . 1.5 mm-40 52.5 40.98 30.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.4 m -155.92 168.65 26.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -74.38 133.45 42.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 40.5 t -127.25 140.79 48.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.079 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -60.85 114.76 3.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.812 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.429 ' HB3' HD23 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -93.58 -45.01 7.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -177.13 129.01 1.39 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -117.33 138.45 51.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.845 0.355 . . . . 0.0 110.941 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 178.24 -126.73 1.1 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.488 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.1 HD11 ' CD ' ' A' ' 31' ' ' GLN . 55.9 tp -114.86 113.51 24.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.873 0.368 . . . . 0.0 110.956 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.573 HD12 ' O ' ' A' ' 72' ' ' VAL . 3.4 tp -100.4 134.97 42.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.8 ptt180 -151.51 153.86 35.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.772 HD22 ' NE ' ' A' ' 135' ' ' ARG . 4.8 tp -98.84 111.2 23.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -93.26 139.1 31.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -100.67 124.47 46.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.82 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.499 ' O ' ' N ' ' A' ' 68' ' ' GLN . 24.8 ptt? -128.39 153.97 46.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.844 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -80.36 152.31 28.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.091 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.461 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.7 OUTLIER -87.86 153.37 21.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.818 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.61 -45.64 6.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.138 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -90.12 -10.71 43.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 142' ' ' ARG . 37.4 m-20 -120.48 -16.71 8.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.461 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 54.64 12.32 3.37 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.405 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.2 t -100.76 174.63 5.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 0.0 111.155 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -67.36 100.76 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 59' ' ' MET . 6.1 mm-40 -88.69 169.23 11.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.423 ' CB ' HD12 ' A' ' 87' ' ' LEU . 17.1 m -135.82 160.9 37.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.6 ttm-85 -152.91 150.77 29.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.3 mt -96.77 114.7 26.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.573 ' O ' HD12 ' A' ' 54' ' ' LEU . 2.1 t -115.75 147.22 19.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.733 ' SD ' HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -148.43 109.81 4.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.643 ' NH2' HD23 ' A' ' 79' ' ' LEU . 27.8 mtp180 -105.9 129.3 54.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.491 HG23 HD12 ' A' ' 82' ' ' ILE . 17.0 p -72.58 144.35 47.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.457 ' O ' ' C ' ' A' ' 77' ' ' GLY . 1.9 pp0? -57.43 -44.99 85.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 76' ' ' GLN . . . -33.67 -84.32 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.523 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 86.1 p -130.6 46.04 2.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.941 0.4 . . . . 0.0 110.83 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.643 HD23 ' NH2' ' A' ' 74' ' ' ARG . 9.8 mp 41.41 38.5 0.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -76.85 110.04 11.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.817 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.665 HD11 ' O ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -62.75 130.4 44.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.733 HD11 ' SD ' ' A' ' 73' ' ' MET . 0.2 OUTLIER -126.32 -26.01 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.078 179.858 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.665 ' O ' HD11 ' A' ' 81' ' ' LEU . 9.4 tp -124.09 129.78 51.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -161.58 105.02 1.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 4.8 t -148.33 132.39 17.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -75.51 125.06 28.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.609 HD23 ' CE ' ' A' ' 91' ' ' MET . 16.4 mt -58.11 148.21 27.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.592 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 46.1 p90 -129.67 157.86 40.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.35 -44.21 65.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.071 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.592 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 50.1 mm-40 -84.06 32.54 0.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.609 ' CE ' HD23 ' A' ' 87' ' ' LEU . 1.9 tpp -72.41 145.46 47.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -108.72 116.59 32.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.604 HD12 ' CD2' ' A' ' 132' ' ' LEU . 1.1 tt -149.02 123.41 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.136 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -130.25 144.6 51.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.539 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 16.7 tptp -80.46 101.34 9.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.488 ' HB2' ' CD2' ' A' ' 102' ' ' HIS . . . -71.2 -44.0 66.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.174 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.1 m -167.07 -175.91 3.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.568 ' O ' HG21 ' A' ' 125' ' ' THR . 7.7 tt0 -72.11 -33.64 68.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -112.68 28.11 9.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.403 ' C ' HG13 ' A' ' 101' ' ' ILE . 2.4 p -159.57 144.18 15.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.674 ' HB ' HD12 ' A' ' 118' ' ' ILE . 13.2 mt -141.87 153.52 19.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.15 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.613 ' CD2' HD12 ' A' ' 117' ' ' LEU . 8.8 m-70 -122.95 119.84 31.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.479 ' C ' HD12 ' A' ' 103' ' ' ILE . 1.3 pp -139.49 147.91 23.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 16.1 p -97.81 125.68 42.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -143.93 158.62 43.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.155 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.722 ' HG3' HG22 ' A' ' 113' ' ' VAL . 9.6 mtt -86.69 161.44 18.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -103.8 164.34 11.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.818 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 68.4 p -91.86 -34.61 14.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.182 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -100.77 -51.32 3.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.832 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -64.15 -25.83 68.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 53.76 43.67 30.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -139.16 151.18 21.67 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.722 HG22 ' HG3' ' A' ' 106' ' ' MET . 51.7 t -81.24 97.59 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.895 0.379 . . . . 0.0 111.109 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.59 ' HG3' ' CZ ' ' A' ' 116' ' ' PHE . 0.5 OUTLIER -112.9 157.82 20.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.47 ' O ' HG13 ' A' ' 115' ' ' VAL . 6.5 p -98.52 116.16 40.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.173 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.59 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 70.0 m-85 -95.8 177.57 5.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.613 HD12 ' CD2' ' A' ' 102' ' ' HIS . 3.3 tp -122.98 158.11 31.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.971 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.692 HG21 ' CD2' ' A' ' 128' ' ' LEU . 2.9 mt -134.92 103.15 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.172 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 13.3 t -102.29 120.23 40.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.46 ' HB1' ' CB ' ' A' ' 124' ' ' ASP . . . -151.89 172.48 16.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.061 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.468 ' O ' ' C ' ' A' ' 122' ' ' SER . 8.8 m -65.16 146.99 54.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.826 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.468 ' C ' ' O ' ' A' ' 121' ' ' SER . 30.4 p -33.27 -45.31 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.783 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 24.9 tptt -68.06 -61.71 1.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.46 ' CB ' ' HB1' ' A' ' 120' ' ' ALA . 44.4 m-20 -44.46 -59.87 2.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.624 HG23 HD11 ' A' ' 101' ' ' ILE . 21.8 m -46.97 -64.21 0.84 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.158 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -39.52 -46.13 2.73 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -57.7 -66.02 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.329 . . . . 0.0 110.929 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.692 ' CD2' HG21 ' A' ' 118' ' ' ILE . 7.5 tp -45.35 -69.34 0.14 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.961 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.539 ' CZ ' ' HB2' ' A' ' 95' ' ' LYS . 41.6 t80 -41.19 -59.55 1.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.976 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -46.35 -38.07 8.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.126 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 132' ' ' LEU . . . -72.04 -60.15 2.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.604 ' CD2' HD12 ' A' ' 93' ' ' ILE . 3.4 mp -36.72 -69.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.963 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.454 ' C ' ' O ' ' A' ' 132' ' ' LEU . 11.2 t-160 -33.53 -55.52 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.459 ' HA ' HD12 ' A' ' 137' ' ' LEU . 2.1 t60 -55.91 -44.87 78.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.772 ' NE ' HD22 ' A' ' 56' ' ' LEU . 72.7 mtt180 -48.87 -37.85 20.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.512 ' N ' HD13 ' A' ' 136' ' ' ILE . 2.1 mm -73.88 -47.21 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.141 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.474 ' HA ' ' CG ' ' A' ' 140' ' ' ARG . 38.8 mt -44.12 -40.27 4.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.11 -32.49 74.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 136' ' ' ILE . 2.1 mt -83.26 -57.95 3.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.474 ' CG ' ' HA ' ' A' ' 137' ' ' LEU . 2.1 ptm180 -54.68 -25.21 25.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.5 m -68.89 -27.25 65.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 64' ' ' ASP . 13.6 mtp85 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.5 m . . . . . 0 C--O 1.23 0.031 0 CA-C-O 120.982 0.42 . . . . 0.0 110.79 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -117.17 116.82 28.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 1.114 HG11 HD23 ' A' ' 56' ' ' LEU . 8.8 p -96.88 -30.72 3.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.104 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.572 ' O ' HD12 ' A' ' 30' ' ' LEU . 3.2 pp -166.92 133.01 2.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.847 ' CG ' HD11 ' A' ' 53' ' ' LEU . 35.7 tt0 -132.42 140.35 48.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.958 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.06 136.83 5.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -63.85 127.31 30.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.702 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.8 t -145.06 -179.24 6.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -126.69 156.32 41.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.518 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 10.8 tp -119.86 139.71 51.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.518 ' CD1' ' O ' ' A' ' 36' ' ' LEU . 12.9 m-85 -140.86 137.65 33.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.553 HG22 ' HB2' ' A' ' 49' ' ' ARG . 6.9 m -122.08 153.42 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -90.76 130.77 36.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 42' ' ' THR . 18.5 t0 -125.59 106.23 9.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -38.4 -26.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.978 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.495 ' N ' ' O ' ' A' ' 40' ' ' ASP . 29.4 m -60.63 -48.17 82.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.1 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.0 m -95.44 -23.13 17.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 67.13 33.1 5.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.4 m -162.2 -177.13 5.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 63.9 m95 -76.54 127.76 33.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 48' ' ' GLU . 90.6 t -118.1 152.87 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.413 ' N ' HG12 ' A' ' 47' ' ' VAL . 20.2 tt0 -71.6 114.95 10.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.553 ' HB2' HG22 ' A' ' 38' ' ' VAL . 0.4 OUTLIER -105.58 -43.48 4.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 -179.867 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -174.18 117.8 0.65 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.6 ptt85 -115.61 141.22 48.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 0.0 110.862 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.445 ' N ' ' CE ' ' A' ' 73' ' ' MET . . . 169.89 -126.98 1.41 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.516 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.847 HD11 ' CG ' ' A' ' 31' ' ' GLN . 47.5 tp -102.04 144.72 30.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.891 0.377 . . . . 0.0 110.924 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.735 HD12 ' O ' ' A' ' 72' ' ' VAL . 4.1 tp -138.24 131.66 30.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.943 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.37 151.12 31.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 1.114 HD23 HG11 ' A' ' 29' ' ' VAL . 4.5 tp -90.82 112.4 24.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.41 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 5.1 p30 -92.19 135.38 34.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.471 ' OD1' ' C ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -93.6 141.81 28.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 24.9 ptt? -152.87 147.39 25.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.11 152.02 23.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.464 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.5 OUTLIER -82.39 156.19 24.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.752 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.95 -53.77 3.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.148 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -84.01 -11.61 56.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -117.78 -18.01 9.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.464 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 52.42 14.08 2.14 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.453 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.694 HG21 ' NE ' ' A' ' 142' ' ' ARG . 11.9 t -97.53 175.0 6.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.756 0.312 . . . . 0.0 111.199 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.735 ' O ' HD13 ' A' ' 67' ' ' LEU . 2.7 tm? -66.52 99.43 0.57 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.96 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.415 ' HG3' ' CB ' ' A' ' 61' ' ' SER . 6.5 mm-40 -93.9 168.38 11.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.3 m -154.89 162.39 41.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -148.24 165.33 31.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.982 HD21 HD11 ' A' ' 132' ' ' LEU . 5.7 mt -105.37 122.93 46.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.973 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.735 ' O ' HD12 ' A' ' 54' ' ' LEU . 2.3 t -124.68 146.79 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.165 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.445 ' CE ' ' N ' ' A' ' 52' ' ' GLY . 10.2 tpt -146.9 108.98 4.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 22.8 mtp85 -95.77 135.03 38.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.432 HG23 HD12 ' A' ' 82' ' ' ILE . 18.2 p -77.55 155.68 31.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -77.11 167.11 22.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.05 -47.47 2.26 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.478 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 56.1 p -143.99 137.94 28.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 0.0 110.85 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.495 ' CD2' ' N ' ' A' ' 79' ' ' LEU . 1.2 mm? -68.19 71.22 0.17 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -109.18 110.3 21.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.653 HD13 ' N ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -76.56 134.11 39.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.658 HD13 ' H ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -127.31 -27.68 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.885 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.564 ' O ' HD11 ' A' ' 81' ' ' LEU . 3.0 tp -121.0 115.85 23.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -147.01 105.0 3.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.654 HG21 ' HB1' ' A' ' 105' ' ' ALA . 4.6 t -146.26 156.37 43.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.424 ' CD ' ' O ' ' A' ' 87' ' ' LEU . 3.7 tmmm? -93.27 149.79 20.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.958 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.607 HD21 ' HG ' ' A' ' 71' ' ' LEU . 26.2 mt -88.7 133.34 34.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.87 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.604 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 46.8 p90 -120.68 158.08 28.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.491 ' HB1' ' HA ' ' A' ' 140' ' ' ARG . . . -53.21 -42.62 66.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.071 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.604 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 70.2 mm-40 -85.08 32.11 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.607 ' SD ' HD22 ' A' ' 87' ' ' LEU . 2.3 ttm -77.02 140.6 40.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -98.33 116.41 30.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.428 ' CD1' ' HB3' ' A' ' 132' ' ' LEU . 2.1 tt -151.83 117.66 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -134.69 130.9 37.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.821 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.513 ' HD3' ' CD2' ' A' ' 129' ' ' TYR . 12.4 tptm -62.84 93.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.732 ' HB2' ' ND1' ' A' ' 102' ' ' HIS . . . -61.39 -48.35 81.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 t -149.23 172.6 14.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -70.0 -22.74 63.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -112.95 -8.11 13.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 69.9 m -127.76 150.28 49.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.894 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.443 HD12 ' HB ' ' A' ' 118' ' ' ILE . 8.7 mt -133.41 138.64 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.732 ' ND1' ' HB2' ' A' ' 96' ' ' ALA . 7.2 m170 -105.25 107.62 18.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.57 HD13 HD13 ' A' ' 71' ' ' LEU . 1.0 OUTLIER -130.96 147.24 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 42.4 p -103.26 127.26 50.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.654 ' HB1' HG21 ' A' ' 85' ' ' THR . . . -144.34 169.72 17.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.477 ' HG3' HG22 ' A' ' 113' ' ' VAL . 28.2 mtt -99.39 163.19 12.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -106.32 157.42 17.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.833 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 78.1 p -79.67 -36.16 38.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.06 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -98.1 -50.97 4.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.838 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 111' ' ' GLN . 3.0 t70 -70.11 -12.46 61.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 110' ' ' ASP . 14.6 mt-30 34.54 47.23 0.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.815 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -140.21 149.63 21.0 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.442 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.477 HG22 ' HG3' ' A' ' 106' ' ' MET . 64.6 t -79.33 107.51 11.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.863 0.363 . . . . 0.0 111.142 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.569 ' HG3' ' CE2' ' A' ' 116' ' ' PHE . 0.6 OUTLIER -119.15 158.36 26.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 179.874 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 82.2 t -81.87 109.54 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.161 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.569 ' CE2' ' HG3' ' A' ' 114' ' ' LYS . 57.3 m-85 -97.54 156.1 16.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.579 HD12 ' CD2' ' A' ' 102' ' ' HIS . 3.2 tp -122.5 156.66 33.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.445 HG22 ' SG ' ' A' ' 34' ' ' CYS . 32.5 mt -131.83 95.63 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.074 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 36.8 t -87.77 100.26 12.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.702 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -132.44 172.34 12.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 123' ' ' LYS . 2.7 t -68.16 144.7 54.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 121' ' ' SER . 24.0 p -37.1 -32.25 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.834 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 121' ' ' SER . 19.9 tptm -78.32 -59.51 2.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.882 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -55.79 -53.73 53.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 52.5 m -41.02 -49.93 3.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.147 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -57.37 -44.87 93.38 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -57.54 -60.3 3.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.751 0.31 . . . . 0.0 110.859 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.511 ' HG ' HD21 ' A' ' 54' ' ' LEU . 0.7 OUTLIER -50.95 -67.67 0.23 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.946 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.513 ' CD2' ' HD3' ' A' ' 95' ' ' LYS . 40.6 t80 -46.4 -60.71 2.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -41.41 -45.25 3.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.06 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.577 ' HB1' HD22 ' A' ' 56' ' ' LEU . . . -63.78 -62.58 1.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.982 HD11 HD21 ' A' ' 71' ' ' LEU . 0.6 OUTLIER -37.98 -70.88 0.09 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.503 ' CE1' HD21 ' A' ' 137' ' ' LEU . 3.0 t-160 -32.89 -68.58 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.502 ' HA ' HD12 ' A' ' 137' ' ' LEU . 11.0 t60 -41.64 -61.29 1.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.842 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.723 ' NE ' HD21 ' A' ' 56' ' ' LEU . 12.3 mmt180 -35.99 -39.86 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.819 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.433 HG12 ' HB3' ' A' ' 91' ' ' MET . 4.4 mp -83.62 -44.49 18.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.167 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.503 HD21 ' CE1' ' A' ' 133' ' ' HIS . 83.1 mt -47.26 -29.32 2.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.917 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -77.82 -30.35 51.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.163 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 5.7 mt -78.93 -56.7 4.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.491 ' HA ' ' HB1' ' A' ' 89' ' ' ALA . 5.8 ptm180 -45.34 -28.76 0.89 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.811 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 40.1 t -70.37 -50.16 41.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . 0.694 ' NE ' HG21 ' A' ' 66' ' ' THR . 4.2 mtm105 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.2 m . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.858 0.361 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -141.87 134.14 27.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.498 ' CG2' HD23 ' A' ' 56' ' ' LEU . 4.4 m -108.89 -33.08 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.447 ' O ' HD12 ' A' ' 30' ' ' LEU . 4.0 pp -156.74 134.17 10.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.968 ' CG ' HD11 ' A' ' 53' ' ' LEU . 33.0 tt0 -134.83 132.41 38.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.467 ' CE ' ' HB3' ' A' ' 124' ' ' ASP . 0.2 OUTLIER -155.7 133.97 11.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.911 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -62.26 123.21 17.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.581 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.6 t -138.91 -176.25 4.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.421 ' HD3' ' CZ ' ' A' ' 37' ' ' PHE . 33.7 tttp -125.35 151.92 45.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.9 tp -115.57 139.46 50.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.421 ' CZ ' ' HD3' ' A' ' 35' ' ' LYS . 64.2 m-85 -130.69 154.85 47.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.833 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.478 ' CG1' ' CE1' ' A' ' 116' ' ' PHE . 2.5 m -144.15 144.08 22.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.138 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.413 ' CZ ' ' HA ' ' A' ' 44' ' ' GLN . 29.4 t80 -89.5 124.14 34.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 42' ' ' THR . 4.8 t0 -118.53 105.04 11.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 40' ' ' ASP . 11.4 ttmt -33.95 -33.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.924 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 40' ' ' ASP . 32.9 m -56.84 -51.01 70.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.144 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 40' ' ' ASP . 44.8 t -89.2 -26.87 21.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.889 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.413 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 1.5 mm-40 68.76 36.11 2.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.86 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 t -165.55 -177.82 4.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.806 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 73.3 m95 -73.87 132.35 42.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 92.9 t -124.15 148.89 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.15 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -70.3 115.28 9.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.472 ' HB2' HG22 ' A' ' 38' ' ' VAL . 1.2 tmt_? -96.07 -43.08 7.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -176.81 126.01 1.08 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -112.29 144.86 41.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.91 0.386 . . . . 0.0 110.818 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 165.41 -124.35 1.24 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.469 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.968 HD11 ' CG ' ' A' ' 31' ' ' GLN . 53.6 tp -108.83 145.57 35.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.819 0.343 . . . . 0.0 110.922 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.6 HD12 ' O ' ' A' ' 72' ' ' VAL . 2.5 tp -141.5 130.1 22.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.466 ' NH2' ' NE ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -151.49 151.14 31.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.825 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.625 HD22 ' HB1' ' A' ' 131' ' ' ALA . 2.3 tp -89.65 111.04 21.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -94.53 154.12 17.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.549 ' CG ' HD21 ' A' ' 67' ' ' LEU . 6.2 t0 -108.26 142.36 38.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.506 ' O ' ' N ' ' A' ' 68' ' ' GLN . 18.9 ptt? -150.06 146.7 27.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.16 156.59 31.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.17 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.491 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.5 OUTLIER -87.81 158.14 18.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.865 -179.773 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.77 -49.05 4.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.182 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -88.43 -12.73 42.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -117.29 -18.22 9.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.491 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 52.81 20.6 8.27 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.505 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.49 HG21 ' NE ' ' A' ' 142' ' ' ARG . 11.3 t -105.36 174.92 5.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.826 0.346 . . . . 0.0 111.134 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.594 ' C ' HD13 ' A' ' 67' ' ' LEU . 2.5 tm? -65.5 99.38 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.96 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.506 ' N ' ' O ' ' A' ' 59' ' ' MET . 6.9 mm-40 -94.18 171.6 8.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.485 ' CB ' ' HD3' ' A' ' 135' ' ' ARG . 50.1 m -151.64 160.72 43.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.482 ' CD ' HG23 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -151.87 170.54 19.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.871 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.544 ' HG ' HD21 ' A' ' 87' ' ' LEU . 4.0 mt -105.28 118.36 36.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.6 ' O ' HD12 ' A' ' 54' ' ' LEU . 2.1 t -115.19 148.79 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.471 ' C ' ' SD ' ' A' ' 73' ' ' MET . 0.0 OUTLIER -148.95 116.59 6.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.676 ' HD3' HD12 ' A' ' 79' ' ' LEU . 68.6 mtt180 -109.9 128.68 55.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.598 HG23 HD12 ' A' ' 82' ' ' ILE . 11.8 p -72.89 159.52 33.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.106 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -85.82 115.72 23.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 148.64 -77.44 0.24 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.523 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.3 m -122.5 36.0 4.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.953 0.406 . . . . 0.0 110.9 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.676 HD12 ' HD3' ' A' ' 74' ' ' ARG . 4.3 mm? 40.03 49.89 2.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -85.61 126.32 33.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.688 HD13 ' N ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -84.53 137.99 33.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.688 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -131.7 -29.97 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.08 179.899 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.634 ' O ' HD11 ' A' ' 81' ' ' LEU . 13.8 tp -119.56 124.88 47.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.536 ' ND2' HG22 ' A' ' 72' ' ' VAL . 2.2 t-20 -156.84 105.03 2.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.647 HG21 ' HB1' ' A' ' 105' ' ' ALA . 9.6 t -144.93 149.11 34.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.472 ' HD3' ' NE2' ' A' ' 68' ' ' GLN . 31.7 ttmt -91.67 121.14 33.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.544 HD21 ' HG ' ' A' ' 71' ' ' LEU . 12.9 mt -56.12 139.3 47.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.602 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 47.8 p90 -125.86 155.55 41.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.409 ' C ' ' H ' ' A' ' 91' ' ' MET . . . -54.11 -44.87 71.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.602 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 72.9 mm-40 -78.93 29.61 0.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.954 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.514 ' HA ' ' NE1' ' A' ' 88' ' ' TRP . 3.1 ttm -74.34 147.26 42.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -113.01 110.88 21.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.6 tt -141.99 111.87 2.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -112.06 135.8 52.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.532 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 12.8 tptp -84.83 98.28 10.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.85 -37.77 76.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.087 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.12 174.19 2.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.799 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -78.48 9.28 4.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -118.8 -31.35 4.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.412 ' C ' HG13 ' A' ' 101' ' ' ILE . 52.1 p -133.16 152.58 51.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.813 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.455 HD11 ' CG2' ' A' ' 125' ' ' THR . 14.9 mt -140.33 138.51 36.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.103 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.506 ' CD2' HD12 ' A' ' 117' ' ' LEU . 12.8 m170 -103.16 116.59 32.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.536 HD13 HD13 ' A' ' 71' ' ' LEU . 1.3 pp -131.53 144.78 36.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 18.4 p -98.27 128.67 44.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.647 ' HB1' HG21 ' A' ' 85' ' ' THR . . . -149.18 159.75 43.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.05 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.551 ' HG3' HG22 ' A' ' 113' ' ' VAL . 12.7 mtm -89.6 173.7 8.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -110.81 161.06 16.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.864 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 62.2 p -86.37 -37.57 18.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -99.27 -48.9 4.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -70.41 -20.21 62.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.792 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 45.1 48.26 9.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -139.88 154.88 24.06 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.462 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.551 HG22 ' HG3' ' A' ' 106' ' ' MET . 93.3 t -87.95 119.92 36.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.934 0.397 . . . . 0.0 111.181 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.482 ' HD2' ' CZ ' ' A' ' 116' ' ' PHE . 8.8 ptpt -131.84 162.55 30.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 90.5 t -84.9 108.61 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.156 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.482 ' CZ ' ' HD2' ' A' ' 114' ' ' LYS . 55.3 m-85 -96.13 157.4 15.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.506 HD12 ' CD2' ' A' ' 102' ' ' HIS . 6.1 tp -123.77 153.58 40.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.939 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.441 ' N ' ' HG ' ' A' ' 117' ' ' LEU . 62.4 mt -126.19 95.98 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 26.8 t -91.68 112.55 24.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.581 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -147.21 178.17 8.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.0 t -70.5 160.18 32.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 10.0 p -44.31 -34.23 1.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 19.8 tptm -81.1 -67.43 0.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.468 ' HB2' ' HB1' ' A' ' 120' ' ' ALA . 39.4 m-20 -41.24 -59.39 1.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.811 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.455 ' CG2' HD11 ' A' ' 101' ' ' ILE . 98.6 m -43.28 -56.33 3.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -48.0 -51.21 19.75 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.46 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -46.83 -69.41 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.828 0.347 . . . . 0.0 110.892 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.448 HD11 HD21 ' A' ' 54' ' ' LEU . 2.0 mm? -38.35 -69.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.948 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.532 ' CZ ' ' HB2' ' A' ' 95' ' ' LYS . 72.3 t80 -44.19 -50.5 8.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.44 -28.36 59.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.085 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.625 ' HB1' HD22 ' A' ' 56' ' ' LEU . . . -83.85 -51.07 7.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.18 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 133' ' ' HIS . 25.9 mt -53.71 -67.35 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.449 ' C ' ' O ' ' A' ' 132' ' ' LEU . 12.7 t-80 -33.56 -62.07 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -52.93 -47.68 67.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.485 ' HD3' ' CB ' ' A' ' 69' ' ' SER . 2.7 mmp_? -52.68 -37.95 59.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.801 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.481 ' N ' HD13 ' A' ' 136' ' ' ILE . 3.1 mm -67.96 -48.09 76.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.474 ' HA ' ' CG ' ' A' ' 140' ' ' ARG . 22.4 mt -46.86 -41.99 16.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.57 -40.85 93.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.065 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.3 mt -67.9 -51.67 45.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.474 ' CG ' ' HA ' ' A' ' 137' ' ' LEU . 10.4 ptm180 -65.04 -21.42 66.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 18.7 t -73.4 -29.48 62.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.8 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . 0.49 ' NE ' HG21 ' A' ' 66' ' ' THR . 20.8 mtt-85 . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.489 ' CB ' ' OD1' ' A' ' 58' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.931 0.396 . . . . 0.0 110.809 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -103.39 108.06 19.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.806 HG21 HD23 ' A' ' 56' ' ' LEU . 2.3 m -77.82 -44.92 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.506 ' N ' ' CG2' ' A' ' 29' ' ' VAL . 3.6 pp -159.63 150.4 19.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.886 ' CG ' HD11 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -142.7 147.61 35.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.442 ' N ' ' HG2' ' A' ' 31' ' ' GLN . 2.7 ptm -168.55 143.64 3.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -72.86 117.49 14.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.95 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.864 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.8 t -134.61 176.05 8.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.875 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -120.83 137.43 54.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.909 HD21 ' CD1' ' A' ' 116' ' ' PHE . 5.8 tp -103.05 137.01 41.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.527 ' HD2' HD23 ' A' ' 117' ' ' LEU . 22.3 m-85 -136.34 117.78 14.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.655 ' CG1' ' CE1' ' A' ' 116' ' ' PHE . 28.6 m -109.56 152.33 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -87.02 127.31 35.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 42' ' ' THR . 66.9 t0 -119.64 98.62 6.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 40' ' ' ASP . 2.9 ttmm -33.54 -33.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 40' ' ' ASP . 86.4 m -55.38 -50.68 69.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 40' ' ' ASP . 5.9 p -91.59 -25.99 18.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.412 ' NE2' ' O ' ' A' ' 41' ' ' LYS . 1.0 OUTLIER 68.8 30.7 4.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 56.0 m -149.92 -177.69 6.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 85.1 m95 -81.69 100.65 9.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.963 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 89.2 t -99.19 130.84 47.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.125 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -68.61 134.57 50.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.08 -5.77 19.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 146.97 124.74 1.57 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.418 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.75 156.58 20.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.881 0.372 . . . . 0.0 110.825 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 163.99 -119.49 0.88 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.525 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.886 HD11 ' CG ' ' A' ' 31' ' ' GLN . 37.2 tp -112.19 134.56 53.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.822 0.344 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.564 HD12 ' O ' ' A' ' 72' ' ' VAL . 4.7 tp -127.55 131.48 50.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.915 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.59 150.78 30.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.806 HD23 HG21 ' A' ' 29' ' ' VAL . 3.5 tp -94.36 117.69 30.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -102.6 143.25 32.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.803 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.489 ' OD1' ' CB ' ' A' ' 27' ' ' SER . 0.5 OUTLIER -100.19 145.2 28.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 179.847 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.479 ' O ' ' N ' ' A' ' 68' ' ' GLN . 24.6 ptt? -151.22 151.86 32.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -82.33 154.19 25.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.056 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.442 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 1.1 t -87.31 157.91 19.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.42 -55.2 2.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.78 -6.84 59.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -122.0 -20.47 6.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.442 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 55.39 12.63 4.62 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.463 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.2 t -98.15 172.78 7.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 0.0 111.172 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -66.2 100.96 0.66 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 59' ' ' MET . 6.0 mm-40 -92.15 167.83 11.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.5 m -136.87 159.66 41.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -148.19 152.85 37.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.491 HD21 HD21 ' A' ' 132' ' ' LEU . 13.8 mt -104.54 120.05 40.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.564 ' O ' HD12 ' A' ' 54' ' ' LEU . 2.2 t -123.43 147.23 27.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.068 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 10.9 tpt -148.32 105.86 3.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 58.4 mtm180 -90.89 138.3 31.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.832 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.85 HG23 HD12 ' A' ' 82' ' ' ILE . 19.0 p -91.74 132.0 36.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.076 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -47.87 170.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.91 -75.71 2.17 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.433 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 97.1 p -122.33 22.19 10.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.903 0.382 . . . . 0.0 110.883 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.2 mp 40.43 41.17 0.99 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.9 ttt-85 -70.59 136.87 49.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.694 HD11 ' O ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -87.36 128.55 35.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.85 HD12 HG23 ' A' ' 75' ' ' THR . 0.2 OUTLIER -127.2 -16.01 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.113 179.888 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.694 ' O ' HD11 ' A' ' 81' ' ' LEU . 2.3 tp -132.22 124.88 29.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.521 ' N ' HD12 ' A' ' 83' ' ' LEU . 2.7 t-20 -157.88 105.57 1.99 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.842 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.533 HG21 ' CB ' ' A' ' 105' ' ' ALA . 4.8 t -143.68 141.51 30.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.46 ' HD2' ' NE2' ' A' ' 68' ' ' GLN . 13.6 ttpt -84.75 117.03 23.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.808 HD23 ' CE ' ' A' ' 91' ' ' MET . 8.2 mt -56.51 148.06 20.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.548 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 40.5 p90 -129.93 161.04 31.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.29 -46.13 72.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.112 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.548 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 40.9 mm-40 -83.35 32.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.962 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.808 ' CE ' HD23 ' A' ' 87' ' ' LEU . 4.3 tpp -73.99 141.08 45.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -101.05 105.82 17.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.502 HG22 ' HG3' ' A' ' 91' ' ' MET . 2.1 tt -145.64 119.85 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -138.64 143.63 39.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.455 ' HE3' HG22 ' A' ' 125' ' ' THR . 5.9 tptm -76.9 94.03 3.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.45 -33.72 76.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.075 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.2 t -153.28 174.48 14.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -81.67 -5.72 58.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -128.36 -6.93 5.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.2 m -133.24 149.76 51.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.783 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.44 ' CD1' HD21 ' A' ' 128' ' ' LEU . 5.5 mt -135.44 147.96 28.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.123 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -114.95 100.67 8.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.516 ' C ' HD12 ' A' ' 103' ' ' ILE . 1.1 pp -117.75 141.55 36.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 19.5 p -99.29 114.59 27.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.104 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.533 ' CB ' HG21 ' A' ' 85' ' ' THR . . . -131.16 157.44 43.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.686 ' HG3' HG22 ' A' ' 113' ' ' VAL . 23.8 mtt -89.38 151.92 21.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -88.55 159.01 18.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 72.4 p -78.72 -42.68 27.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -96.31 -50.2 4.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -67.23 -17.37 64.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 40.67 45.25 1.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -134.64 142.22 13.65 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.512 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.686 HG22 ' HG3' ' A' ' 106' ' ' MET . 58.5 t -74.2 103.59 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.93 0.395 . . . . 0.0 111.093 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.582 ' HG3' ' CE2' ' A' ' 116' ' ' PHE . 1.2 ptpm? -112.12 162.48 15.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 86.6 t -83.44 107.39 14.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.146 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.909 ' CD1' HD21 ' A' ' 36' ' ' LEU . 46.3 m-85 -95.72 140.57 30.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.814 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.527 HD23 ' HD2' ' A' ' 37' ' ' PHE . 3.2 tp -109.06 158.38 17.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.951 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.661 HG21 HD11 ' A' ' 128' ' ' LEU . 16.8 mt -137.96 105.06 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 48.3 t -99.9 109.4 21.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.864 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -140.14 173.63 11.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 6.6 t -52.53 148.3 7.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.3 p -40.73 -39.47 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 14.3 tptp -82.91 -60.05 2.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 127' ' ' GLN . 1.0 OUTLIER -41.49 -56.54 2.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.842 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.455 HG22 ' HE3' ' A' ' 95' ' ' LYS . 99.8 m -41.03 -34.53 0.43 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -80.51 -30.36 40.75 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.525 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 124' ' ' ASP . 15.8 mt-30 -56.61 -69.21 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.815 0.341 . . . . 0.0 110.936 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.661 HD11 HG21 ' A' ' 118' ' ' ILE . 0.8 OUTLIER -55.72 -34.09 64.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.448 ' N ' ' HG ' ' A' ' 128' ' ' LEU . 38.0 t80 -61.11 -62.77 1.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -45.93 -25.28 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.074 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.716 ' HB1' ' CD2' ' A' ' 56' ' ' LEU . . . -79.56 -63.6 1.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.108 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.591 ' O ' HD12 ' A' ' 136' ' ' ILE . 10.4 mp -41.67 -64.61 0.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -37.95 -62.05 0.59 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.815 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.5 ' O ' ' N ' ' A' ' 136' ' ' ILE . 47.9 t60 -49.02 -59.81 3.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.646 ' HE ' HD21 ' A' ' 56' ' ' LEU . 12.9 mmt180 -36.85 -29.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.591 HD12 ' O ' ' A' ' 132' ' ' LEU . 4.1 mp -91.18 -46.88 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.075 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.44 ' HA ' ' CG ' ' A' ' 140' ' ' ARG . 66.9 mt -47.2 -29.8 2.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -75.34 -35.04 61.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.8 mt -75.17 -47.04 30.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.44 ' CG ' ' HA ' ' A' ' 137' ' ' LEU . 6.2 ptm180 -64.24 -13.36 48.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.817 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 35.7 t -82.53 -24.06 34.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 25.8 mtp85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.942 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.922 0.392 . . . . 0.0 110.791 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -124.54 80.65 1.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 66.9 t -39.28 -69.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.144 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.4 pp -144.03 134.68 24.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.867 ' CG ' HD11 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -124.89 129.44 50.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.925 179.893 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.99 123.48 6.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -45.34 134.73 6.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.638 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.8 t -154.31 173.57 15.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.541 ' HD3' ' CZ ' ' A' ' 37' ' ' PHE . 36.6 tttt -114.4 155.25 26.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.4 tp -123.43 137.57 54.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.953 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.541 ' CZ ' ' HD3' ' A' ' 35' ' ' LYS . 59.4 m-85 -130.35 163.59 26.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.697 ' CG1' ' CE1' ' A' ' 116' ' ' PHE . 2.8 m -150.88 152.34 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -100.24 117.51 34.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.504 ' O ' ' N ' ' A' ' 42' ' ' THR . 16.6 t0 -110.25 103.86 12.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.839 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 40' ' ' ASP . 1.7 ttmm -34.38 -32.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.504 ' N ' ' O ' ' A' ' 40' ' ' ASP . 89.3 m -57.1 -49.92 74.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 40' ' ' ASP . 7.5 t -90.93 -26.13 19.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 41' ' ' LYS . 1.6 mm-40 70.3 31.71 3.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.8 m -160.21 -178.03 6.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.781 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 60.7 m95 -76.17 142.8 41.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.964 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 86.0 t -130.22 147.53 33.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.111 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -72.48 95.02 1.73 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.768 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -70.71 -59.97 2.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -170.4 120.29 0.85 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.493 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.09 145.75 29.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.859 0.361 . . . . 0.0 110.854 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.547 ' N ' ' CE ' ' A' ' 73' ' ' MET . . . 174.45 -125.92 1.15 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.525 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.867 HD11 ' CG ' ' A' ' 31' ' ' GLN . 29.0 tp -111.22 115.99 30.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.86 0.362 . . . . 0.0 110.903 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.5 HD12 ' O ' ' A' ' 72' ' ' VAL . 4.7 tp -102.67 137.68 40.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -151.19 152.03 32.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 1.029 HD22 ' HB1' ' A' ' 131' ' ' ALA . 2.7 tp -102.62 109.51 21.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.7 p-10 -92.4 154.9 18.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -122.75 137.1 55.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.519 ' O ' ' N ' ' A' ' 68' ' ' GLN . 12.3 ptt? -146.64 153.21 40.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.32 150.69 36.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.085 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.516 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -86.24 154.69 21.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.863 -179.76 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.501 HG23 ' N ' ' A' ' 63' ' ' ASP . 5.9 t -99.22 -48.3 4.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.145 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.501 ' N ' HG23 ' A' ' 62' ' ' THR . 3.7 t70 -87.84 -13.99 40.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.429 ' HB3' HG22 ' A' ' 66' ' ' THR . 5.7 m-20 -116.56 -18.39 10.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.817 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.516 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 56.32 11.22 4.77 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.51 HG21 ' HD2' ' A' ' 142' ' ' ARG . 7.4 t -99.94 175.01 5.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.783 0.325 . . . . 0.0 111.123 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.484 ' C ' HD13 ' A' ' 67' ' ' LEU . 2.0 tm? -64.49 99.99 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.893 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.519 ' N ' ' O ' ' A' ' 59' ' ' MET . 4.1 mm-40 -90.8 170.33 10.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.491 ' CB ' ' HG2' ' A' ' 135' ' ' ARG . 7.4 m -159.07 170.01 22.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.471 ' HB3' ' HE2' ' A' ' 59' ' ' MET . 5.0 ptp180 -154.84 153.69 31.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 1.008 HD21 HD21 ' A' ' 132' ' ' LEU . 8.5 mt -92.33 116.71 29.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.5 ' O ' HD12 ' A' ' 54' ' ' LEU . 2.3 t -118.93 147.15 22.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.206 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.547 ' CE ' ' N ' ' A' ' 52' ' ' GLY . 12.3 tpt -149.58 105.8 3.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.595 ' HD2' HD22 ' A' ' 79' ' ' LEU . 82.2 mtm180 -96.69 132.21 42.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.6 p -68.31 162.09 25.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -90.26 92.77 9.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 167.64 -95.78 0.12 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.448 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 79' ' ' LEU . 3.5 m -102.07 39.8 1.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.93 0.395 . . . . 0.0 110.876 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.595 HD22 ' HD2' ' A' ' 74' ' ' ARG . 29.9 mt 37.81 53.56 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.954 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -90.34 114.09 26.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.846 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.673 HD13 ' N ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -77.72 137.0 38.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.683 HD13 ' H ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -130.09 -29.69 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.126 179.844 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.605 ' O ' HD11 ' A' ' 81' ' ' LEU . 6.9 tp -119.51 120.64 37.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -152.21 105.34 3.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.465 HG21 ' HB1' ' A' ' 105' ' ' ALA . 11.2 t -142.33 148.86 38.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.103 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.468 ' HD3' ' NE2' ' A' ' 68' ' ' GLN . 29.4 ttmt -93.53 119.91 33.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.545 HD23 ' HE2' ' A' ' 91' ' ' MET . 20.5 mt -56.84 141.59 44.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.931 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.552 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 41.9 p90 -123.54 162.42 22.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.37 -46.13 76.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.083 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.552 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 74.9 mm-40 -83.14 32.58 0.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.545 ' HE2' HD23 ' A' ' 87' ' ' LEU . 1.8 tpp -68.02 143.41 55.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 18.4 mp0 -109.41 109.87 20.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.0 tt -141.73 111.34 2.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.201 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -120.61 144.4 48.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.437 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 15.3 tptm -86.92 97.06 10.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.66 -39.01 88.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.0 t -154.17 -178.66 7.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -78.84 -27.82 44.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -108.74 -6.99 15.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 54.3 p -130.76 136.72 49.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.815 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.484 HD11 ' CG2' ' A' ' 125' ' ' THR . 13.6 mt -125.92 160.25 33.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.204 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.573 ' CD2' HD12 ' A' ' 117' ' ' LEU . 7.8 m-70 -126.24 110.32 13.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.707 HD13 HD13 ' A' ' 71' ' ' LEU . 1.3 pp -128.7 143.56 40.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.182 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 29.5 p -97.39 120.26 37.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.56 ' HB3' ' CD2' ' A' ' 116' ' ' PHE . . . -131.74 165.6 23.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.054 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.724 ' HG3' HG22 ' A' ' 113' ' ' VAL . 5.3 mtt -96.99 161.76 13.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -94.1 155.03 17.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.984 0.421 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 43.4 p -86.46 -33.19 20.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -101.25 -47.66 4.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 111' ' ' GLN . 1.1 m-20 -80.56 -4.6 54.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.938 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 110' ' ' ASP . 13.6 mt-30 34.76 50.07 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.938 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -136.59 146.81 18.8 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.494 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.724 HG22 ' HG3' ' A' ' 106' ' ' MET . 40.4 t -79.43 134.26 28.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.899 0.38 . . . . 0.0 111.206 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.439 ' HD2' ' CZ ' ' A' ' 116' ' ' PHE . 10.1 ptpt -143.95 162.67 35.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 89.0 t -84.11 108.49 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.697 ' CE1' ' CG1' ' A' ' 38' ' ' VAL . 56.6 m-85 -95.93 171.0 8.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.573 HD12 ' CD2' ' A' ' 102' ' ' HIS . 4.9 tp -134.02 154.73 50.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.429 HD12 ' HB ' ' A' ' 101' ' ' ILE . 9.8 mt -131.34 96.26 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.184 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 33.7 t -93.79 114.0 26.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.638 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -148.3 169.1 20.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 123' ' ' LYS . 3.5 t -53.34 140.47 27.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.809 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 121' ' ' SER . 4.2 p -37.79 -31.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.863 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 121' ' ' SER . 13.2 tptm -83.65 -59.4 2.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.896 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.6 -54.17 15.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.861 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.484 ' CG2' HD11 ' A' ' 101' ' ' ILE . 24.8 m -42.37 -57.03 2.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.186 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -46.46 -44.9 16.58 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.523 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -60.71 -60.35 3.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.88 0.371 . . . . 0.0 110.916 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.594 ' CD1' HD13 ' A' ' 132' ' ' LEU . 0.2 OUTLIER -50.64 -38.88 48.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.437 ' CZ ' ' HB2' ' A' ' 95' ' ' LYS . 32.6 t80 -65.9 -53.49 38.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.03 -49.25 69.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.149 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 1.029 ' HB1' HD22 ' A' ' 56' ' ' LEU . . . -49.96 -67.25 0.28 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.113 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 1.008 HD21 HD21 ' A' ' 71' ' ' LEU . 9.2 mp -46.81 -66.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.51 ' NE2' HD21 ' A' ' 137' ' ' LEU . 11.6 t-160 -32.8 -58.52 0.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.518 ' CD2' HH21 ' A' ' 135' ' ' ARG . 2.0 t60 -53.09 -61.69 2.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.661 ' HD3' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -37.02 -33.26 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.502 ' N ' HD13 ' A' ' 136' ' ' ILE . 2.7 mm -76.58 -51.53 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.099 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.51 HD21 ' NE2' ' A' ' 133' ' ' HIS . 20.2 mt -47.46 -37.3 11.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.75 -34.18 75.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.0 mt -82.08 -64.89 1.09 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 140' ' ' ARG . 1.3 ptm85 -45.83 -30.59 1.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . 0.42 ' HB2' ' O ' ' A' ' 137' ' ' LEU . 37.4 t -63.56 -39.15 93.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . 0.51 ' HD2' HG21 ' A' ' 66' ' ' THR . 10.2 mtp-105 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.396 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -112.77 174.69 5.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.947 0.403 . . . . 0.0 110.804 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.4 t -163.32 118.24 1.67 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.828 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.84 143.37 9.2 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.488 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.5 m -130.56 153.84 48.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 110.895 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 7' ' ' GLY . 96.8 p -162.78 147.84 11.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 34.67 -119.55 0.32 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.533 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.2 p -44.41 109.3 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.752 0.311 . . . . 0.0 111.194 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.64 41.52 0.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.076 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.97 126.8 4.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -146.85 162.62 38.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.53 ' CB ' HD23 ' A' ' 13' ' ' LEU . 95.5 m -90.5 -58.47 2.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.945 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.53 HD23 ' CB ' ' A' ' 12' ' ' CYS . 1.1 pt? -165.28 161.11 18.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 tp -59.4 -55.22 37.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -72.65 70.26 0.93 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.99 149.43 35.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.684 ' HA ' HD12 ' A' ' 20' ' ' ILE . 35.1 m -72.39 -38.17 60.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.102 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 17' ' ' VAL . 13.6 pt-20 -37.36 -40.35 0.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.4 m -86.56 -36.52 10.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.091 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.684 HD12 ' HA ' ' A' ' 17' ' ' VAL . 67.0 mt -58.99 139.82 18.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.079 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 23' ' ' GLU . 1.6 m -58.91 150.59 23.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.11 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 24' ' ' GLU . . . -36.35 -31.35 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.493 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 21' ' ' THR . 15.3 pt-20 35.04 33.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.803 0.335 . . . . 0.0 110.923 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.49 ' HG2' ' N ' ' A' ' 25' ' ' ALA . 1.7 pm0 -39.91 -47.63 2.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.49 ' N ' ' HG2' ' A' ' 24' ' ' GLU . . . 36.4 39.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.09 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -63.24 174.59 1.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.954 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.5 m -113.21 146.9 38.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -112.89 93.71 4.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.513 HG21 ' CD2' ' A' ' 56' ' ' LEU . 58.2 t -55.16 -74.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.497 ' O ' HD12 ' A' ' 30' ' ' LEU . 4.2 pp -139.57 135.7 33.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.828 ' CG ' HD11 ' A' ' 53' ' ' LEU . 34.7 tt0 -123.3 132.11 53.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.944 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.565 ' CE ' HD23 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -159.2 147.99 18.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -69.45 125.64 27.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.569 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.9 t -143.81 179.52 7.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.468 ' HG2' ' CB ' ' A' ' 51' ' ' ARG . 29.8 mtmt -127.6 150.74 49.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.8 tp -116.98 142.87 46.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -144.03 141.74 30.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.568 ' CG1' ' CE1' ' A' ' 116' ' ' PHE . 0.4 OUTLIER -124.97 147.93 29.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.532 ' CZ ' ' HA ' ' A' ' 44' ' ' GLN . 46.6 t80 -92.53 106.46 18.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 42' ' ' THR . 22.9 t0 -94.41 104.1 16.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.794 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 40' ' ' ASP . 0.5 OUTLIER -37.69 -29.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.466 ' N ' ' O ' ' A' ' 40' ' ' ASP . 59.2 m -57.94 -47.95 81.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.3 m -95.39 -22.18 17.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.532 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 1.4 mm-40 67.37 32.66 5.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.2 t -158.19 -178.41 7.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 62.0 m95 -76.6 121.99 23.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.1 t -109.53 138.65 36.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.055 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -60.42 117.12 4.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.471 ' NE ' ' HA ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -104.83 -51.68 3.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -175.65 126.38 1.15 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.469 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.468 ' CB ' ' HG2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -115.21 134.04 55.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.908 0.385 . . . . 0.0 110.834 -179.857 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.405 ' N ' ' CE ' ' A' ' 73' ' ' MET . . . 178.62 -132.33 1.89 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.493 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.828 HD11 ' CG ' ' A' ' 31' ' ' GLN . 53.8 tp -99.36 149.27 23.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.816 0.341 . . . . 0.0 110.914 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.757 HD12 ' O ' ' A' ' 72' ' ' VAL . 3.4 tp -138.48 131.89 30.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.96 152.52 33.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.598 HD22 ' NE ' ' A' ' 135' ' ' ARG . 2.6 tp -98.05 112.66 24.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -96.51 133.51 40.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.42 125.66 38.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.488 ' O ' ' N ' ' A' ' 68' ' ' GLN . 21.4 ptt? -124.64 159.71 30.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.812 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.3 146.07 26.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.074 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.457 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -83.99 157.01 22.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.809 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.88 -56.11 2.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -81.19 -14.24 57.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.658 ' HB3' HG22 ' A' ' 66' ' ' THR . 0.8 OUTLIER -114.23 -20.76 10.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.797 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.457 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 55.52 12.27 4.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.443 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.658 HG22 ' HB3' ' A' ' 64' ' ' ASP . 13.7 t -98.37 174.76 6.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.798 0.332 . . . . 0.0 111.17 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.551 ' C ' HD13 ' A' ' 67' ' ' LEU . 2.7 tm? -68.39 99.38 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 59' ' ' MET . 6.0 mm-40 -88.04 165.83 14.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.7 m -142.94 162.25 35.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -152.74 170.99 18.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.603 HD13 HD13 ' A' ' 103' ' ' ILE . 6.5 mt -109.31 116.1 31.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.95 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.757 ' O ' HD12 ' A' ' 54' ' ' LEU . 2.2 t -118.32 147.02 22.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.091 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.466 ' HG3' HD11 ' A' ' 82' ' ' ILE . 8.8 tpt -147.54 107.84 4.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.825 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.43 ' NH1' ' O ' ' A' ' 79' ' ' LEU . 44.6 mtt-85 -98.68 136.47 38.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 46.1 p -70.13 168.16 16.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.184 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.467 ' CD ' ' N ' ' A' ' 77' ' ' GLY . 3.7 pp0? -81.29 -29.04 34.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.467 ' N ' ' CD ' ' A' ' 76' ' ' GLN . . . -63.43 -99.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 80' ' ' ARG . 3.6 m -97.32 39.69 1.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.898 0.38 . . . . 0.0 110.866 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.43 ' O ' ' NH1' ' A' ' 74' ' ' ARG . 9.7 mp 36.49 30.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 78' ' ' SER . 1.5 ptp180 -65.2 144.84 56.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.623 HD11 ' O ' ' A' ' 83' ' ' LEU . 0.1 OUTLIER -92.84 129.74 38.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.666 HD13 ' H ' ' A' ' 82' ' ' ILE . 0.3 OUTLIER -125.55 -21.08 2.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.834 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.623 ' O ' HD11 ' A' ' 81' ' ' LEU . 3.2 tp -127.47 118.12 23.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.9 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -149.34 104.91 3.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.946 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.662 HG21 ' HB1' ' A' ' 105' ' ' ALA . 11.1 t -143.25 147.86 35.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.469 ' HD2' ' NE2' ' A' ' 68' ' ' GLN . 12.7 ttpt -93.57 118.66 31.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.704 HD23 ' HE2' ' A' ' 91' ' ' MET . 4.3 mt -55.74 153.0 8.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.836 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.586 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 48.8 p90 -137.24 155.49 49.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -47.9 -46.79 32.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.586 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 55.9 mm-40 -83.42 29.67 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.704 ' HE2' HD23 ' A' ' 87' ' ' LEU . 3.7 tpp -70.41 140.93 52.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.817 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -100.52 118.88 37.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.484 ' CD1' ' HB2' ' A' ' 132' ' ' LEU . 1.2 tt -153.85 118.9 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -130.3 147.41 52.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 17.0 tptm -86.91 98.02 11.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.87 -39.65 76.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 69.5 m -154.62 175.14 14.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -78.9 2.37 20.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.2 mtmm -130.25 -31.46 1.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.832 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 60.0 p -113.32 150.45 32.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.916 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.962 HD12 HD11 ' A' ' 128' ' ' LEU . 8.5 mt -139.12 149.93 23.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.194 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.591 ' CD2' HD12 ' A' ' 117' ' ' LEU . 9.7 m170 -113.35 104.7 12.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.603 HD13 HD13 ' A' ' 71' ' ' LEU . 1.1 pp -123.25 141.71 42.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.449 ' O ' ' HE1' ' A' ' 91' ' ' MET . 61.6 p -96.21 128.84 43.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.662 ' HB1' HG21 ' A' ' 85' ' ' THR . . . -142.78 170.84 14.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.629 ' HG3' HG22 ' A' ' 113' ' ' VAL . 31.6 mtm -113.67 136.27 53.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.475 ' HB2' ' CE ' ' A' ' 114' ' ' LYS . 16.9 t70 -68.51 173.0 5.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 31.1 p -89.38 -35.89 15.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.076 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -96.33 -55.44 2.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.835 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -65.44 -24.12 67.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 46.22 35.33 2.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -116.28 145.24 18.67 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.515 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.629 HG22 ' HG3' ' A' ' 106' ' ' MET . 39.4 t -79.89 117.85 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.886 0.374 . . . . 0.0 111.216 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.496 ' HG3' ' CE2' ' A' ' 116' ' ' PHE . 2.2 pttt -132.12 163.0 29.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 57.5 t -82.13 108.17 14.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.079 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.574 ' CD2' ' HB3' ' A' ' 105' ' ' ALA . 60.9 m-85 -95.99 157.59 15.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.591 HD12 ' CD2' ' A' ' 102' ' ' HIS . 4.2 tp -123.66 155.57 37.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.543 HG21 HD22 ' A' ' 128' ' ' LEU . 16.2 mt -134.49 106.66 8.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 34.7 t -99.83 123.05 43.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.569 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -157.52 169.92 23.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.147 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 6.1 t -54.91 153.88 5.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.859 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 51.6 p -48.74 -26.94 2.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.844 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -87.98 -61.38 1.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.947 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -48.31 -49.13 35.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 31.4 m -49.03 -46.3 43.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -65.7 -34.99 90.44 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.483 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -60.5 -66.73 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.767 0.318 . . . . 0.0 110.89 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.962 HD11 HD12 ' A' ' 101' ' ' ILE . 3.1 pp -49.93 -43.2 49.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.607 ' N ' HD12 ' A' ' 128' ' ' LEU . 35.9 t80 -61.19 -53.71 53.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -51.57 -19.52 1.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.126 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.456 ' HB3' HH21 ' A' ' 135' ' ' ARG . . . -85.89 -60.42 2.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.068 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.933 HD23 ' CZ ' ' A' ' 135' ' ' ARG . 46.1 mt -39.05 -65.56 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.467 ' C ' ' O ' ' A' ' 132' ' ' LEU . 2.5 t-160 -32.48 -65.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.702 ' HA ' HD12 ' A' ' 137' ' ' LEU . 75.0 t60 -47.44 -56.64 6.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.933 ' CZ ' HD23 ' A' ' 132' ' ' LEU . 58.9 mtt180 -37.27 -31.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.569 HG22 ' HD2' ' A' ' 140' ' ' ARG . 3.8 mp -92.01 -44.75 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.702 HD12 ' HA ' ' A' ' 134' ' ' HIS . 20.4 mt -50.8 -31.92 18.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -72.6 -29.01 63.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.055 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 3.1 mt -81.2 -46.19 15.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.884 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.569 ' HD2' HG22 ' A' ' 136' ' ' ILE . 4.6 mtp180 -63.2 -22.21 66.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 2.0 m -77.31 -17.07 58.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 8.3 mtt85 -90.58 -51.89 5.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.827 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.449 HG23 ' N ' ' A' ' 144' ' ' GLU . 30.2 m -52.12 -43.43 38.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . 0.449 ' N ' HG23 ' A' ' 143' ' ' VAL . 3.0 pt-20 -102.41 140.81 36.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 14.7 m -70.15 -41.84 73.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 115.33 -177.37 17.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.473 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 119.69 6.6 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.695 2.264 . . . . 0.0 112.316 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 12.0 t -86.12 117.88 25.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 23.2 p -62.68 134.05 55.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.891 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.522 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.1 m -108.15 159.19 16.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.851 0.358 . . . . 0.0 110.865 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.2 m -113.11 -60.74 1.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.92 162.69 15.28 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.526 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.2 p -168.82 158.6 9.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.84 0.352 . . . . 0.0 110.87 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.1 t -168.66 139.34 2.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.74 143.3 15.75 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.486 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.9 p -104.61 -177.99 3.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.777 0.322 . . . . 0.0 111.164 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.9 124.69 31.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.091 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -102.14 163.97 11.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.7 mtmt -116.41 179.57 3.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 23.6 t -161.55 126.09 3.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 13' ' ' LEU . 3.8 mm? -121.15 164.24 17.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -89.12 -47.71 7.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -83.79 35.97 0.53 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -102.28 151.38 22.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.7 m -78.78 -31.21 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -42.96 -39.67 2.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.5 m -85.85 -25.02 6.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.184 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.799 HG22 ' H ' ' A' ' 22' ' ' GLY . 90.7 mt -77.86 143.4 12.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 16.5 m -47.61 -27.76 2.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.183 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.799 ' H ' HG22 ' A' ' 20' ' ' ILE . . . 114.03 61.89 0.41 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.436 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -73.54 -36.77 65.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.79 0.329 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -110.89 -17.68 13.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -97.66 41.29 1.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.106 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -131.86 169.59 16.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.9 m -145.85 147.4 31.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -110.29 90.7 3.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.585 HG21 ' CD2' ' A' ' 56' ' ' LEU . 6.4 t -58.68 -70.61 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.43 ' O ' HD12 ' A' ' 30' ' ' LEU . 4.5 pp -139.45 144.2 37.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.892 ' CG ' HD11 ' A' ' 53' ' ' LEU . 34.0 tt0 -134.74 128.04 32.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.426 ' HE1' ' CB ' ' A' ' 120' ' ' ALA . 0.1 OUTLIER -156.6 138.49 14.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -62.43 133.06 54.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.783 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.6 t -146.19 174.85 10.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 41.1 mtpt -120.99 128.45 52.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.5 tp -101.95 125.25 48.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -115.86 134.26 55.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.4 p -110.64 137.65 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.099 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -90.41 121.33 32.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 42' ' ' THR . 51.4 t0 -108.38 96.11 6.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -38.09 -27.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 40' ' ' ASP . 29.4 m -60.73 -49.01 79.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.075 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.0 m -92.83 -25.36 18.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 67.98 36.46 3.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.0 m -150.08 168.02 25.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.81 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.421 ' CZ2' HD13 ' A' ' 117' ' ' LEU . 79.6 m95 -78.35 106.93 10.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.963 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 94.2 t -105.54 137.49 35.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.117 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.35 134.46 53.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.58 -37.52 3.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -177.76 121.55 0.78 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -116.72 141.14 48.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.909 0.385 . . . . 0.0 110.87 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 168.02 -118.53 0.79 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.546 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.892 HD11 ' CG ' ' A' ' 31' ' ' GLN . 45.3 tp -112.74 150.51 31.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.87 0.366 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.6 HD12 ' O ' ' A' ' 72' ' ' VAL . 4.0 tp -141.69 132.18 25.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.952 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.2 152.75 33.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.776 HD22 ' HB1' ' A' ' 131' ' ' ALA . 4.7 tp -89.72 114.25 25.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -94.12 123.23 37.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.923 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -96.36 139.63 32.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.495 ' O ' ' N ' ' A' ' 68' ' ' GLN . 16.5 ptt? -147.73 160.72 42.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -91.69 145.11 24.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.467 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.7 OUTLIER -82.73 154.32 24.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.899 -179.817 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.41 -54.64 2.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.193 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -83.62 -7.26 59.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.401 ' HB2' HG22 ' A' ' 66' ' ' THR . 4.2 m-20 -121.53 -21.12 6.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.467 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 56.79 10.55 4.75 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.491 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.419 HG21 ' HD2' ' A' ' 142' ' ' ARG . 9.2 t -95.8 172.67 7.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.801 0.334 . . . . 0.0 111.159 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.412 ' C ' HD13 ' A' ' 67' ' ' LEU . 2.6 tm? -68.87 99.72 1.09 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 59' ' ' MET . 7.3 mm-40 -84.63 169.21 14.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.41 ' HB2' HD12 ' A' ' 87' ' ' LEU . 48.9 m -157.84 163.73 37.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -149.8 171.47 16.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.018 HD21 HD21 ' A' ' 132' ' ' LEU . 11.8 mt -113.47 111.09 21.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.981 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.6 ' O ' HD12 ' A' ' 54' ' ' LEU . 2.3 t -113.4 147.11 17.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.491 ' O ' HD13 ' A' ' 82' ' ' ILE . 13.7 tpt -148.36 105.83 3.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.9 mtt-85 -92.98 144.19 25.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.572 HG23 HD12 ' A' ' 82' ' ' ILE . 9.3 p -88.66 144.94 25.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -59.99 133.55 56.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 112.76 -97.01 0.86 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.485 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.2 m -88.73 17.57 5.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.35 . . . . 0.0 110.76 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.4 mp 41.07 33.94 0.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.939 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 18.6 ttt180 -61.56 138.85 58.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.685 HD11 ' O ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -91.8 134.65 34.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.901 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.671 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -129.01 -28.03 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.685 ' O ' HD11 ' A' ' 81' ' ' LEU . 4.9 tp -121.76 128.49 51.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.955 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.589 ' OD1' HG22 ' A' ' 108' ' ' THR . 1.2 p30 -161.97 105.69 1.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.9 t -145.28 139.55 27.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.167 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.467 ' HD2' ' NE2' ' A' ' 68' ' ' GLN . 4.8 ttpm? -80.17 123.14 27.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.986 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.677 HD23 ' HE2' ' A' ' 91' ' ' MET . 21.3 mt -56.99 141.13 46.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.579 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 46.5 p90 -122.59 158.96 28.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.822 ' HB1' ' HA ' ' A' ' 140' ' ' ARG . . . -52.75 -44.55 66.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.095 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.579 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 47.7 mm-40 -84.05 32.3 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.677 ' HE2' HD23 ' A' ' 87' ' ' LEU . 1.3 tpp -72.37 132.01 43.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -98.4 117.11 32.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.471 HG13 HG22 ' A' ' 103' ' ' ILE . 1.3 tt -151.79 124.71 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -142.2 145.62 34.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.493 ' HD3' ' CD2' ' A' ' 129' ' ' TYR . 11.7 tptm -75.83 93.84 3.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.508 ' CB ' ' CD2' ' A' ' 102' ' ' HIS . . . -65.37 -29.55 70.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.099 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.9 t -162.54 174.21 12.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.466 ' CG ' ' HB2' ' A' ' 122' ' ' SER . 5.2 tt0 -73.27 -23.0 60.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -122.3 15.4 10.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.965 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.4 m -151.01 140.74 21.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.751 ' HB ' HD12 ' A' ' 118' ' ' ILE . 5.8 mt -131.19 151.87 36.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.167 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.685 ' CD2' HD12 ' A' ' 117' ' ' LEU . 10.7 m170 -118.0 103.58 10.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.819 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.492 HD13 HD13 ' A' ' 71' ' ' LEU . 1.6 pp -122.7 144.84 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.405 ' O ' ' HE1' ' A' ' 91' ' ' MET . 31.4 p -97.44 126.23 42.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.098 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -140.58 159.0 43.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.667 ' HG3' HG22 ' A' ' 113' ' ' VAL . 27.8 mtt -85.91 157.83 20.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -100.71 153.37 19.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.589 HG22 ' OD1' ' A' ' 84' ' ' ASN . 40.9 p -76.97 -34.95 57.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.219 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -99.33 -56.31 2.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -64.34 -13.02 47.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 39.41 35.99 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.951 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -130.52 153.94 20.43 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.446 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.667 HG22 ' HG3' ' A' ' 106' ' ' MET . 61.6 t -86.57 119.84 35.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.938 0.399 . . . . 0.0 111.097 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 9.9 ptpt -127.79 175.18 8.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 72.7 t -96.04 108.98 21.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.166 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -96.88 174.37 6.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.685 HD12 ' CD2' ' A' ' 102' ' ' HIS . 3.7 tp -134.12 157.16 46.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.905 HG21 HD11 ' A' ' 128' ' ' LEU . 5.9 mt -134.25 99.14 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.094 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 26.6 t -93.87 121.47 35.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.783 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -156.82 174.35 15.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 123' ' ' LYS . 6.5 t -60.16 141.41 55.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.817 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.466 ' HB2' ' CG ' ' A' ' 98' ' ' GLU . 53.2 p -41.13 -26.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.822 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 121' ' ' SER . 0.8 OUTLIER -83.47 -61.0 1.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -53.83 -51.36 63.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.878 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.401 ' O ' HD11 ' A' ' 101' ' ' ILE . 99.8 m -43.19 -40.9 3.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.169 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -75.91 -30.8 57.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.476 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -60.98 -69.25 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.883 0.373 . . . . 0.0 110.951 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.905 HD11 HG21 ' A' ' 118' ' ' ILE . 1.3 pt? -54.27 -38.63 66.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.939 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.493 ' CD2' ' HD3' ' A' ' 95' ' ' LYS . 22.9 t80 -55.57 -59.83 4.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -50.55 -35.08 28.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.134 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.776 ' HB1' HD22 ' A' ' 56' ' ' LEU . . . -64.88 -70.19 0.24 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 1.018 HD21 HD21 ' A' ' 71' ' ' LEU . 6.9 mp -37.91 -70.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.945 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.552 ' NE2' HD21 ' A' ' 137' ' ' LEU . 11.1 t-80 -32.75 -68.52 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.714 ' HA ' HD12 ' A' ' 137' ' ' LEU . 5.1 t60 -43.33 -59.76 1.97 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.475 ' NE ' HD21 ' A' ' 56' ' ' LEU . 11.6 mmt180 -40.07 -37.88 0.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.619 HD11 HD22 ' A' ' 87' ' ' LEU . 3.1 mm -72.32 -51.35 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.083 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.714 HD12 ' HA ' ' A' ' 134' ' ' HIS . 40.7 mt -37.7 -31.39 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 136' ' ' ILE . . . -70.16 -43.26 71.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.104 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.52 ' N ' HD23 ' A' ' 139' ' ' LEU . 2.3 mt -74.66 -53.98 8.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.822 ' HA ' ' HB1' ' A' ' 89' ' ' ALA . 7.1 ptp180 -58.57 -11.2 2.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 31.3 t -88.75 -18.7 27.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . 0.419 ' HD2' HG21 ' A' ' 66' ' ' THR . 38.0 mtp85 -82.33 -55.35 4.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.879 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.5 HG23 ' N ' ' A' ' 144' ' ' GLU . 26.1 m -55.8 -46.69 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . 0.5 ' N ' HG23 ' A' ' 143' ' ' VAL . 5.2 mm-40 -133.77 107.92 8.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.0 t -101.41 99.76 10.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -71.5 -171.69 13.86 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.475 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 114.82 3.82 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.707 2.271 . . . . 0.0 112.347 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 3.2 t 58.12 49.95 10.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.805 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 30.1 m 52.26 49.78 19.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.813 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.435 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t 45.09 41.34 5.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.865 0.364 . . . . 0.0 110.847 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -127.42 127.55 44.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.822 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.01 -165.8 11.96 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.6 p -145.18 121.12 10.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.892 0.377 . . . . 0.0 110.945 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 t -93.52 108.04 19.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.28 60.4 0.48 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.396 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -155.02 135.15 13.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.735 0.302 . . . . 0.0 111.151 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -172.24 145.34 1.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.4 -176.58 3.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 pptp? -95.49 -25.15 16.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.966 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 58.2 m -47.79 168.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 59.59 44.36 14.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 tt -108.84 -58.52 2.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.949 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -92.7 15.34 14.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.434 ' O ' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -57.41 148.01 24.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.824 ' HA ' HD12 ' A' ' 20' ' ' ILE . 22.6 m -79.32 -31.99 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.417 ' CD ' ' HG2' ' A' ' 16' ' ' LYS . 18.8 pt-20 -42.92 -39.27 2.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 16' ' ' LYS . 30.7 m -81.54 -37.24 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.086 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.824 HD12 ' HA ' ' A' ' 17' ' ' VAL . 85.1 mt -54.0 153.04 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.419 ' N ' HG22 ' A' ' 20' ' ' ILE . 2.5 m -53.91 164.01 0.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.178 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.413 ' N ' HG22 ' A' ' 21' ' ' THR . . . -73.18 75.0 0.98 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.554 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -95.36 -50.12 5.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.836 0.351 . . . . 0.0 110.9 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -115.3 -20.32 10.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -94.96 43.94 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.093 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -124.8 156.66 37.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m -145.77 142.64 29.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.832 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -108.02 118.54 37.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.765 HG21 HD23 ' A' ' 56' ' ' LEU . 1.8 m -94.74 -39.15 9.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.142 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.574 ' C ' HD12 ' A' ' 30' ' ' LEU . 2.8 pp -156.73 137.79 13.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.97 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.87 ' CG ' HD11 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -131.73 147.44 52.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.422 ' N ' ' HG2' ' A' ' 31' ' ' GLN . 3.4 ptt? -169.19 129.35 1.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -61.39 117.05 5.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.982 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.767 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 2.6 t -136.14 174.03 11.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.464 ' HG3' ' CB ' ' A' ' 51' ' ' ARG . 26.9 tttt -113.44 149.34 34.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 tp -119.39 137.28 53.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.437 ' CE1' ' HE2' ' A' ' 35' ' ' LYS . 83.5 m-85 -132.1 162.25 31.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.784 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.607 ' CG1' ' CE1' ' A' ' 116' ' ' PHE . 2.5 m -146.35 138.0 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.135 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.562 ' CZ ' ' C ' ' A' ' 44' ' ' GLN . 20.2 t80 -82.99 110.7 18.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 42' ' ' THR . 36.4 t0 -100.11 104.63 16.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.488 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -33.87 -35.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.949 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 40' ' ' ASP . 19.5 m -54.81 -50.77 67.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 40' ' ' ASP . 17.4 m -89.51 -24.76 21.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.562 ' C ' ' CZ ' ' A' ' 39' ' ' PHE . 1.3 mm-40 69.37 25.7 5.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.9 t -155.36 -177.14 6.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 76.7 m95 -73.0 137.54 45.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.972 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.9 t -130.0 144.58 37.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.074 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 64.7 tt0 -68.68 113.88 6.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.801 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.53 ' HB2' HG22 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -99.69 -56.77 2.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.877 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -164.86 121.26 0.99 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.477 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.464 ' CB ' ' HG3' ' A' ' 35' ' ' LYS . 23.2 ptt180 -113.32 151.96 30.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.931 0.396 . . . . 0.0 110.835 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 161.07 -130.26 2.31 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.491 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.87 HD11 ' CG ' ' A' ' 31' ' ' GLN . 50.1 tp -97.88 132.17 43.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.824 0.345 . . . . 0.0 110.874 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.99 HD21 HD11 ' A' ' 128' ' ' LEU . 4.6 tp -122.19 130.52 53.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -151.15 151.7 32.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.821 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.765 HD23 HG21 ' A' ' 29' ' ' VAL . 4.4 tp -90.07 139.44 30.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.44 ' C ' ' OD1' ' A' ' 57' ' ' ASN . 22.5 t-20 -116.42 121.06 40.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -95.19 131.25 41.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.5 ' O ' ' N ' ' A' ' 68' ' ' GLN . 20.4 ptt? -137.15 160.67 38.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.797 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -89.76 145.06 25.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.062 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.466 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -83.01 153.38 24.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.8 -179.776 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.27 -58.89 1.86 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.177 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -79.62 -7.47 58.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -119.75 -24.77 6.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.466 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 60.56 7.42 7.71 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.534 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.8 t -91.96 174.69 7.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 0.0 111.169 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.448 ' C ' HD13 ' A' ' 67' ' ' LEU . 3.2 tm? -71.67 99.84 2.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 59' ' ' MET . 7.9 mm-40 -85.59 169.72 13.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.4 m -154.9 168.3 27.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -155.85 165.94 34.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.633 HD13 HD13 ' A' ' 103' ' ' ILE . 11.0 mt -107.04 118.32 36.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.486 HG13 HD21 ' A' ' 81' ' ' LEU . 2.2 t -117.61 147.24 21.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 6.8 tpt -144.1 115.74 8.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 53' ' ' LEU . 97.6 mtt180 -103.05 134.08 47.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.632 HG23 HD12 ' A' ' 82' ' ' ILE . 4.2 p -76.48 158.47 31.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -82.78 -37.2 24.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -54.38 -31.93 51.51 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.455 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.7 m -172.26 164.74 5.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.923 0.392 . . . . 0.0 110.878 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -74.07 62.31 0.89 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 17.3 ttt180 -114.55 137.94 51.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.655 HD13 ' N ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -93.58 137.38 32.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.655 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -127.61 -27.07 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.829 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.569 ' O ' HD11 ' A' ' 81' ' ' LEU . 3.1 tp -126.05 114.79 18.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -147.55 105.06 3.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.3 t -146.38 144.93 30.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.111 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.452 ' HD2' ' NE2' ' A' ' 68' ' ' GLN . 10.5 ttpt -88.22 121.36 30.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.753 HD23 ' CE ' ' A' ' 91' ' ' MET . 6.8 mt -56.92 159.55 4.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.935 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.565 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 42.5 p90 -141.51 158.86 43.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.969 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.98 -45.23 64.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.565 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 50.7 mm-40 -84.37 31.95 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.753 ' CE ' HD23 ' A' ' 87' ' ' LEU . 6.2 tpp -70.85 139.63 50.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -97.58 111.66 23.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.402 HD12 ' CD2' ' A' ' 132' ' ' LEU . 1.5 tt -148.02 127.49 4.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.183 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -141.07 145.61 36.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.9 tptm -82.4 98.22 8.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.0 -28.39 63.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.4 t -169.78 170.23 7.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.876 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -75.28 -2.91 30.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -132.94 16.58 4.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 83.7 p -160.36 140.58 11.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.429 HD11 ' O ' ' A' ' 125' ' ' THR . 9.1 mt -130.48 144.66 37.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.169 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.638 ' CD2' HD12 ' A' ' 117' ' ' LEU . 13.0 m170 -109.57 103.54 12.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.633 HD13 HD13 ' A' ' 71' ' ' LEU . 1.1 pp -120.42 151.02 23.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 38.0 p -106.12 124.96 50.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.139 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.48 ' HB3' ' CD2' ' A' ' 116' ' ' PHE . . . -140.52 167.67 21.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.202 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.717 ' HG3' HG22 ' A' ' 113' ' ' VAL . 14.3 mtt -100.36 159.16 15.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.852 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -96.82 164.06 12.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 66.3 p -86.85 -36.76 18.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.229 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -100.6 -38.55 8.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.8 -26.57 44.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 49.33 44.62 23.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -136.55 141.94 13.04 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.717 HG22 ' HG3' ' A' ' 106' ' ' MET . 31.2 t -77.49 108.7 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.854 0.359 . . . . 0.0 111.171 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.493 ' HG3' ' CE2' ' A' ' 116' ' ' PHE . 3.3 ptpt -119.23 162.81 18.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 48.6 t -81.76 106.96 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.607 ' CE1' ' CG1' ' A' ' 38' ' ' VAL . 64.0 m-85 -96.21 149.24 21.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.638 HD12 ' CD2' ' A' ' 102' ' ' HIS . 5.0 tp -116.37 155.02 29.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.413 ' CG2' ' SG ' ' A' ' 34' ' ' CYS . 36.9 mt -128.73 98.78 4.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 31.5 t -88.67 108.8 19.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.862 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.767 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -144.5 169.06 18.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 19.0 t -63.47 161.07 15.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.4 p -49.59 -42.51 44.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -71.86 -61.59 1.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 127' ' ' GLN . 3.9 m-20 -50.18 -60.27 3.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.88 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.429 ' O ' HD11 ' A' ' 101' ' ' ILE . 87.4 m -35.66 -42.07 0.23 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.169 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -63.26 -41.47 99.56 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.417 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' A' ' 124' ' ' ASP . 1.7 mm-40 -50.64 -61.73 2.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.816 0.341 . . . . 0.0 110.884 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.99 HD11 HD21 ' A' ' 54' ' ' LEU . 0.4 OUTLIER -50.58 -70.32 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -37.44 -63.13 0.47 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.99 -44.24 4.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.148 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.427 ' HB3' HH21 ' A' ' 135' ' ' ARG . . . -68.31 -62.5 1.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.114 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.557 ' CD2' HG21 ' A' ' 103' ' ' ILE . 4.0 mp -38.19 -67.26 0.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.452 ' C ' ' O ' ' A' ' 132' ' ' LEU . 4.1 t-160 -34.01 -62.53 0.31 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.865 ' HA ' HD12 ' A' ' 137' ' ' LEU . 26.5 t60 -48.65 -54.6 14.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.557 ' HD3' HD13 ' A' ' 56' ' ' LEU . 53.0 mtt180 -41.04 -27.59 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.575 HD12 ' N ' ' A' ' 136' ' ' ILE . 3.5 mp -94.07 -45.36 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.865 HD12 ' HA ' ' A' ' 134' ' ' HIS . 13.6 mt -50.01 -35.68 25.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.412 ' O ' ' CG ' ' A' ' 142' ' ' ARG . . . -66.43 -26.29 67.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.41 ' N ' HD23 ' A' ' 139' ' ' LEU . 1.0 OUTLIER -90.01 -56.77 3.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.571 ' HD2' HD23 ' A' ' 137' ' ' LEU . 4.3 ptp180 -57.57 -23.24 49.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 41.9 t -74.18 -28.73 61.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.833 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . 0.436 ' NH1' ' HB3' ' A' ' 142' ' ' ARG . 1.8 mtp-105 -76.8 -48.08 19.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 142' ' ' ARG . 40.1 t -36.59 -58.41 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -109.54 133.81 52.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 8.0 t -114.87 105.58 13.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -170.37 152.67 19.53 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 -12.57 33.24 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.697 2.265 . . . . 0.0 112.393 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 39.5 p -51.44 166.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 42.4 m -98.88 -178.71 4.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.517 179.961 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -124.69 173.68 8.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.851 0.358 . . . . 0.0 110.852 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t 70.41 42.41 0.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.29 -157.09 33.33 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.473 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.6 p -170.99 173.65 5.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.843 0.354 . . . . 0.0 110.835 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 t -80.18 167.44 20.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.03 172.28 20.21 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.461 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.4 p -132.72 132.5 42.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.799 0.333 . . . . 0.0 111.15 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.48 168.24 1.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.107 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -121.89 42.22 3.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -123.68 145.32 49.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 84.9 m -39.15 98.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.8 mt -130.37 171.21 13.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 tp -51.09 -46.49 61.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -69.14 73.12 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 17' ' ' VAL . 1.0 OUTLIER -104.65 161.67 13.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.546 ' HA ' HD12 ' A' ' 20' ' ' ILE . 2.0 t -92.78 -44.36 13.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.167 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 17' ' ' VAL . 15.5 pt-20 -36.33 -36.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.0 m -83.09 -38.66 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.546 HD12 ' HA ' ' A' ' 17' ' ' VAL . 79.3 mt -56.91 157.46 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.481 ' N ' HG22 ' A' ' 20' ' ' ILE . 0.7 OUTLIER -45.85 153.51 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -74.44 74.5 1.27 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.469 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -59.43 -40.84 88.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.835 0.35 . . . . 0.0 110.912 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -51.61 -16.69 0.67 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.938 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.14 42.36 0.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -65.76 171.34 4.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.5 t -95.15 150.92 19.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -119.8 107.57 13.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.937 HG11 HD23 ' A' ' 56' ' ' LEU . 7.4 p -92.37 -32.74 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.438 ' C ' HD12 ' A' ' 30' ' ' LEU . 1.2 pp -165.36 134.15 3.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.83 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.957 ' CG ' HD11 ' A' ' 53' ' ' LEU . 16.2 tt0 -132.71 136.62 46.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.517 ' HE2' HD23 ' A' ' 128' ' ' LEU . 4.0 ptt? -161.32 138.64 8.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.445 ' OE1' HD13 ' A' ' 53' ' ' LEU . 3.2 mm100 -70.75 116.83 11.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.764 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.8 t -130.65 179.43 5.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.467 ' HD2' ' CZ ' ' A' ' 37' ' ' PHE . 17.7 ttmt -113.59 144.64 42.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.8 tp -123.26 123.83 41.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.467 ' CZ ' ' HD2' ' A' ' 35' ' ' LYS . 69.1 m-85 -115.87 156.17 26.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.472 ' CG2' ' HD3' ' A' ' 114' ' ' LYS . 3.0 p -139.87 135.47 38.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.452 ' CZ ' ' HA ' ' A' ' 44' ' ' GLN . 28.7 t80 -65.07 136.48 56.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.417 ' C ' ' N ' ' A' ' 42' ' ' THR . 9.9 t0 -125.3 102.0 7.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.912 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.3 -22.83 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.417 ' N ' ' C ' ' A' ' 40' ' ' ASP . 26.0 m -56.39 -50.01 72.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 44' ' ' GLN . 14.3 m -118.97 20.51 12.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.452 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 1.4 mm-40 36.86 43.03 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.965 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.6 t -150.37 174.41 12.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 54.3 m95 -75.72 138.9 41.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 66.5 t -130.51 143.2 41.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -55.5 116.66 3.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.86 -51.75 3.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.4 ' O ' ' HE2' ' A' ' 73' ' ' MET . . . -170.34 103.16 0.19 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.526 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -103.36 137.94 40.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.844 0.355 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.558 ' N ' ' CE ' ' A' ' 73' ' ' MET . . . 167.28 -136.62 4.21 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.464 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.957 HD11 ' CG ' ' A' ' 31' ' ' GLN . 18.3 tp -83.34 135.06 34.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.895 0.379 . . . . 0.0 110.951 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.621 HD12 ' O ' ' A' ' 72' ' ' VAL . 4.7 tp -132.36 134.08 44.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.4 ptt180 -151.21 155.07 38.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.059 HD22 ' HB1' ' A' ' 131' ' ' ALA . 2.8 tp -97.13 109.57 22.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.958 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -92.26 132.95 36.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -102.35 126.83 49.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.514 ' O ' ' N ' ' A' ' 68' ' ' GLN . 19.9 ptt? -127.31 157.83 38.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.05 150.38 20.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.076 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.486 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 1.1 t -86.28 155.11 20.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.487 ' OG1' ' N ' ' A' ' 63' ' ' ASP . 0.8 OUTLIER -98.76 -60.62 1.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.172 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.487 ' N ' ' OG1' ' A' ' 62' ' ' THR . 0.6 OUTLIER -76.71 -20.53 56.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 179.855 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -105.9 -23.99 12.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.486 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 60.06 7.0 6.08 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.6 t -88.57 175.35 7.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.785 0.326 . . . . 0.0 111.2 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.564 ' C ' HD13 ' A' ' 67' ' ' LEU . 3.5 tm? -73.35 99.76 3.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.514 ' N ' ' O ' ' A' ' 59' ' ' MET . 3.7 mm100 -81.9 165.99 20.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.953 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.484 ' CB ' HD12 ' A' ' 87' ' ' LEU . 38.2 m -155.24 156.11 35.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -147.22 166.66 26.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.577 HD13 HD13 ' A' ' 103' ' ' ILE . 3.0 mt -108.38 113.91 27.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.621 ' O ' HD12 ' A' ' 54' ' ' LEU . 2.2 t -111.69 145.45 17.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.558 ' CE ' ' N ' ' A' ' 52' ' ' GLY . 12.2 tpt -143.56 106.48 4.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.447 ' HD3' ' CD2' ' A' ' 79' ' ' LEU . 72.0 mtt-85 -92.07 127.82 37.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.848 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.486 HG23 HD12 ' A' ' 82' ' ' ILE . 17.2 p -70.53 158.84 35.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.425 ' CD ' ' O ' ' A' ' 76' ' ' GLN . 0.0 OUTLIER -81.84 40.08 0.59 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.932 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -122.59 -95.29 1.25 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.5 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 57.8 m -128.94 64.7 1.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 0.0 110.871 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.447 ' CD2' ' HD3' ' A' ' 74' ' ' ARG . 15.1 mt 40.77 51.43 3.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -96.13 102.01 13.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.819 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.637 HD11 ' O ' ' A' ' 83' ' ' LEU . 0.1 OUTLIER -67.91 132.23 46.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.937 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.65 HD13 ' H ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -126.68 -21.83 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.053 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.637 ' O ' HD11 ' A' ' 81' ' ' LEU . 4.3 tp -130.37 120.8 24.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.944 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -153.27 104.98 2.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.0 t -142.98 154.11 43.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.103 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.407 ' HD2' ' C ' ' A' ' 86' ' ' LYS . 1.0 OUTLIER -92.76 128.82 38.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 179.867 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.666 HD22 ' SD ' ' A' ' 91' ' ' MET . 12.6 mt -67.84 138.52 56.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.596 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 49.4 p90 -118.95 156.81 28.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.43 -43.83 62.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.117 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.596 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 21.4 mm-40 -83.72 31.51 0.48 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.666 ' SD ' HD22 ' A' ' 87' ' ' LEU . 1.7 ttm -70.01 139.29 52.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.828 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -103.66 113.96 27.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.0 tt -150.26 115.68 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.113 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -128.27 140.58 51.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 10.6 tptm -75.1 93.73 2.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.77 -40.17 88.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.152 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.7 m -147.97 167.38 25.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -71.04 -10.25 59.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -124.76 -21.09 4.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.4 m -113.39 152.3 30.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.892 ' CD1' HD11 ' A' ' 128' ' ' LEU . 3.3 mt -140.14 151.49 21.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.141 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.497 ' CD2' HD12 ' A' ' 117' ' ' LEU . 11.6 m-70 -120.38 103.18 8.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.577 HD13 HD13 ' A' ' 71' ' ' LEU . 1.2 pp -117.85 150.44 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.145 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 13.7 p -101.59 124.57 47.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -140.8 171.92 13.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.079 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.782 ' HG3' HG22 ' A' ' 113' ' ' VAL . 19.6 mtt -99.26 168.98 9.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -105.18 168.88 8.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 23.3 p -94.5 -39.75 10.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.157 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -101.31 -44.73 5.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -73.93 -10.9 60.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 38.92 43.79 0.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -128.65 154.98 20.34 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.782 HG22 ' HG3' ' A' ' 106' ' ' MET . 45.7 t -88.88 102.06 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.862 0.363 . . . . 0.0 111.135 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.534 ' HG3' ' CZ ' ' A' ' 116' ' ' PHE . 5.1 ptpt -118.27 149.45 41.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.429 ' O ' HG13 ' A' ' 115' ' ' VAL . 4.6 p -90.4 117.1 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.108 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.534 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 82.8 m-85 -95.92 176.91 5.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.839 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.497 HD12 ' CD2' ' A' ' 102' ' ' HIS . 3.7 tp -123.88 154.61 39.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.868 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.63 HG22 ' SG ' ' A' ' 34' ' ' CYS . 5.4 mt -135.0 102.39 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 46.0 t -98.11 125.3 43.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.764 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -155.29 172.78 17.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 123' ' ' LYS . 3.2 t -54.43 138.77 39.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.813 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 121' ' ' SER . 7.0 p -36.3 -33.61 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.837 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 121' ' ' SER . 48.5 tptt -84.49 -59.59 2.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.407 ' HB3' ' CE ' ' A' ' 32' ' ' MET . 1.1 m-20 -45.6 -55.19 6.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.878 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.552 HG23 HD11 ' A' ' 101' ' ' ILE . 3.4 m -42.33 -29.1 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -76.64 -38.8 31.24 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.448 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -51.72 -69.42 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.843 0.354 . . . . 0.0 110.924 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.975 HD12 ' N ' ' A' ' 129' ' ' TYR . 3.1 pp -55.34 -43.77 75.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.975 ' N ' HD12 ' A' ' 128' ' ' LEU . 22.5 t80 -50.56 -55.27 16.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.02 -21.04 58.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 1.059 ' HB1' HD22 ' A' ' 56' ' ' LEU . . . -78.48 -55.29 5.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.502 HD21 HD21 ' A' ' 71' ' ' LEU . 10.4 mp -53.76 -70.9 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.957 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 132' ' ' LEU . 8.5 t-160 -34.9 -62.05 0.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -43.04 -61.42 1.31 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.739 ' CZ ' HD21 ' A' ' 56' ' ' LEU . 1.4 mpt_? -39.92 -40.89 1.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.481 ' N ' HD13 ' A' ' 136' ' ' ILE . 3.0 mm -68.45 -53.35 28.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.077 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.498 ' HA ' ' CG ' ' A' ' 140' ' ' ARG . 30.5 mt -44.88 -40.85 6.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.08 -36.67 80.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.54 ' N ' HD23 ' A' ' 139' ' ' LEU . 1.8 mt -77.56 -59.72 2.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.498 ' CG ' ' HA ' ' A' ' 137' ' ' LEU . 5.5 ptm180 -54.33 -15.52 1.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 43.6 t -77.21 -27.14 53.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . 0.435 ' NH1' ' HB3' ' A' ' 142' ' ' ARG . 6.5 mtp-105 -79.4 -48.23 14.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.929 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.468 HG23 ' N ' ' A' ' 144' ' ' GLU . 17.9 m -56.35 -46.55 81.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . 0.468 ' N ' HG23 ' A' ' 143' ' ' VAL . 18.9 mm-40 -134.87 114.99 13.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 57.9 m -80.93 101.65 9.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.888 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -129.4 145.86 16.71 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.476 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 138.78 38.72 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.68 2.253 . . . . 0.0 112.396 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 3.4 t -147.34 115.72 6.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.851 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 2.2 m -73.22 144.97 46.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.453 -179.958 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t -132.55 142.84 49.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.339 . . . . 0.0 110.883 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -133.24 -49.01 0.85 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.59 -164.04 53.06 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.469 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -159.86 159.46 32.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.905 0.384 . . . . 0.0 110.829 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.8 m -139.66 172.54 12.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.92 173.49 26.23 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.449 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.6 p -154.97 170.22 22.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 111.117 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -147.69 157.94 43.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -112.76 160.39 18.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.2 mtmm -107.05 153.05 23.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.0 t -120.29 133.34 55.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.8 mt -117.82 169.81 9.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -86.33 -53.58 4.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.962 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -91.82 37.19 0.96 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -58.15 166.7 1.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.51 HG12 ' CD ' ' A' ' 24' ' ' GLU . 18.7 m -81.12 -33.35 12.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -41.13 -39.32 1.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.1 m -86.11 -32.25 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.666 HG22 ' H ' ' A' ' 22' ' ' GLY . 39.5 mt -74.69 139.0 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.079 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.3 m -43.38 -23.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.155 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.666 ' H ' HG22 ' A' ' 20' ' ' ILE . . . 107.73 44.62 1.2 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.43 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -71.32 -41.06 70.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.835 0.35 . . . . 0.0 110.917 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.51 ' CD ' HG12 ' A' ' 17' ' ' VAL . 1.1 pm0 -89.27 -14.9 34.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -100.19 31.68 3.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.069 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -155.51 128.77 8.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.3 t -123.62 151.5 42.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -102.18 86.92 2.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.402 ' CG1' HD23 ' A' ' 56' ' ' LEU . 64.7 t -48.68 -69.58 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.519 HD21 ' HB2' ' A' ' 131' ' ' ALA . 4.5 pp -143.76 140.01 29.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.981 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.729 ' HG2' HD11 ' A' ' 53' ' ' LEU . 11.9 tt0 -125.58 129.18 49.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -154.12 136.12 14.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -60.22 127.19 30.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.586 ' SG ' HG23 ' A' ' 118' ' ' ILE . 5.1 t -146.73 170.83 16.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt -120.1 130.28 54.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.4 tp -96.28 128.63 43.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -119.49 144.67 46.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.438 ' O ' HG13 ' A' ' 38' ' ' VAL . 11.9 p -124.85 127.47 72.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.074 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.542 ' HB2' ' CZ3' ' A' ' 46' ' ' TRP . 6.2 t80 -70.21 130.06 41.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.503 ' O ' ' N ' ' A' ' 42' ' ' THR . 31.3 t0 -114.93 90.9 3.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.828 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.533 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -33.21 -34.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.986 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.503 ' N ' ' O ' ' A' ' 40' ' ' ASP . 51.3 m -43.8 -49.38 8.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.184 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 44' ' ' GLN . 13.2 m -116.18 19.13 15.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.812 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.501 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 1.8 mm-40 38.03 48.38 1.06 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.4 m -154.89 171.79 19.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.542 ' CZ3' ' HB2' ' A' ' 39' ' ' PHE . 55.6 m95 -78.12 140.44 39.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 83.3 t -128.69 143.21 41.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -60.88 121.27 11.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.79 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.444 ' NH2' ' OD1' ' A' ' 107' ' ' ASP . 0.0 OUTLIER -109.32 -39.95 5.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.847 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 171.96 112.63 0.28 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.515 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.2 ptt-85 -108.66 148.82 29.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.845 0.355 . . . . 0.0 110.898 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.443 ' N ' ' CE ' ' A' ' 73' ' ' MET . . . 177.19 -111.09 0.32 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.502 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.729 HD11 ' HG2' ' A' ' 31' ' ' GLN . 28.1 tp -127.76 111.12 13.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.834 0.349 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.794 HD12 ' O ' ' A' ' 72' ' ' VAL . 5.5 tp -92.65 143.93 25.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.507 ' HG2' ' CG2' ' A' ' 72' ' ' VAL . 10.4 ptt-85 -149.16 156.89 42.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.984 HD22 ' HB1' ' A' ' 131' ' ' ALA . 2.8 tp -112.99 106.77 15.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 34.5 p-10 -95.17 155.72 16.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.444 ' OD2' ' NH2' ' A' ' 135' ' ' ARG . 33.0 m-20 -122.22 138.51 54.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.5 ' O ' ' N ' ' A' ' 68' ' ' GLN . 20.6 ptt? -140.26 155.52 46.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.32 153.34 29.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.467 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -87.78 150.12 23.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.806 -179.79 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.8 t -98.75 -45.39 6.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.069 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -89.53 -8.56 52.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.514 ' HB3' HG22 ' A' ' 66' ' ' THR . 4.2 t0 -122.73 -19.85 6.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.467 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 59.97 7.59 6.91 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.478 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.514 HG22 ' HB3' ' A' ' 64' ' ' ASP . 8.8 t -96.91 175.04 6.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.819 0.343 . . . . 0.0 111.144 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.614 ' C ' HD13 ' A' ' 67' ' ' LEU . 2.7 tm? -66.98 105.08 1.53 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 59' ' ' MET . 5.0 mm-40 -92.7 161.24 14.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.49 ' CB ' HD12 ' A' ' 87' ' ' LEU . 14.7 m -128.09 161.6 28.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.4 ttm180 -152.06 144.54 24.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.438 ' CD1' HD21 ' A' ' 87' ' ' LEU . 8.8 mt -94.61 153.31 17.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.794 ' O ' HD12 ' A' ' 54' ' ' LEU . 0.9 OUTLIER -154.68 152.11 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.103 179.817 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.474 ' O ' HD13 ' A' ' 82' ' ' ILE . 8.9 tpt -155.35 106.36 2.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.867 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.435 ' HG3' ' NH1' ' A' ' 55' ' ' ARG . 44.8 mtm180 -97.17 140.72 31.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.492 HG23 HD12 ' A' ' 82' ' ' ILE . 18.9 p -79.0 156.19 28.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -78.06 157.86 29.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.74 -60.75 4.35 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.416 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 80' ' ' ARG . 34.4 t -117.48 119.54 35.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.924 0.392 . . . . 0.0 110.884 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.73 75.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 78' ' ' SER . 15.0 ttt180 -117.34 139.61 50.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.698 HD11 ' O ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -98.88 134.83 41.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.626 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -126.38 -26.23 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.089 179.854 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.698 ' O ' HD11 ' A' ' 81' ' ' LEU . 6.3 tp -124.75 121.91 35.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -152.95 105.04 2.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.6 t -144.26 147.58 33.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.083 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.453 ' HG3' ' CE ' ' A' ' 59' ' ' MET . 2.8 ttpm? -88.67 117.16 27.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.776 HD23 ' HE2' ' A' ' 91' ' ' MET . 6.5 mt -56.65 144.73 31.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.568 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 40.7 p90 -126.85 163.1 24.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.34 -43.21 92.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.063 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.568 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 32.4 mm-40 -82.87 32.78 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.958 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.776 ' HE2' HD23 ' A' ' 87' ' ' LEU . 8.0 tpp -76.36 145.64 39.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -104.29 103.83 13.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 3.1 tt -142.71 115.21 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -125.82 144.12 50.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.571 ' HD3' ' CD2' ' A' ' 129' ' ' TYR . 9.3 tptm -79.7 92.72 5.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.18 -45.88 91.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.089 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.2 t -151.29 -178.65 6.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -84.89 -2.92 58.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.4 mtmt -129.6 -1.0 4.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 79.4 p -140.15 152.16 45.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.869 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.565 ' O ' HD12 ' A' ' 117' ' ' LEU . 5.7 mt -138.28 152.73 25.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.128 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.423 ' CD2' HD12 ' A' ' 117' ' ' LEU . 4.8 m-70 -120.19 102.96 8.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.49 ' C ' HD12 ' A' ' 103' ' ' ILE . 1.0 OUTLIER -122.06 146.03 27.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 41.6 p -104.1 125.48 50.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.09 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -139.2 159.6 41.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.068 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.72 ' HG3' HG22 ' A' ' 113' ' ' VAL . 6.1 mtt -83.67 169.81 14.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.444 ' OD1' ' NH2' ' A' ' 49' ' ' ARG . 6.4 t70 -106.49 167.0 10.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 67.5 p -89.71 -38.65 13.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.165 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -98.24 -58.49 1.96 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -67.26 -12.11 59.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 38.87 49.0 1.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -131.96 148.76 19.19 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.478 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.72 HG22 ' HG3' ' A' ' 106' ' ' MET . 82.6 t -83.79 110.68 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 111.126 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -119.46 159.51 24.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 97.6 t -81.34 108.76 14.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.174 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -95.85 169.81 9.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.565 HD12 ' O ' ' A' ' 101' ' ' ILE . 5.7 tp -133.77 154.19 51.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.586 HG23 ' SG ' ' A' ' 34' ' ' CYS . 67.2 mt -127.52 110.11 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 23.2 t -103.81 115.32 30.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -150.63 171.16 17.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.159 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 123' ' ' LYS . 6.0 t -61.9 140.2 58.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.841 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 121' ' ' SER . 5.2 p -35.8 -31.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 121' ' ' SER . 21.8 tptm -76.0 -60.89 2.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -53.37 -52.14 60.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 90.9 m -41.21 -50.6 3.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -57.56 -44.81 93.7 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.457 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -59.54 -61.61 2.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.853 0.359 . . . . 0.0 110.937 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.589 ' CD1' HD11 ' A' ' 132' ' ' LEU . 0.5 OUTLIER -49.29 -61.36 2.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.571 ' CD2' ' HD3' ' A' ' 95' ' ' LYS . 61.9 t80 -53.32 -51.23 63.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.51 -22.21 12.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.145 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.984 ' HB1' HD22 ' A' ' 56' ' ' LEU . . . -85.7 -57.73 2.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.589 HD11 ' CD1' ' A' ' 128' ' ' LEU . 30.3 mt -49.13 -64.77 0.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 132' ' ' LEU . 6.0 t-80 -36.21 -64.81 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.494 ' O ' ' N ' ' A' ' 136' ' ' ILE . 5.4 t60 -47.74 -59.16 3.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.935 ' HE ' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -37.95 -27.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 -179.855 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.559 HD12 ' O ' ' A' ' 132' ' ' LEU . 3.8 mp -92.27 -48.1 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 59.2 mt -46.89 -29.82 2.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.922 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -74.49 -39.06 62.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.8 mt -69.83 -55.63 9.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.994 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.448 ' HA ' ' CG2' ' A' ' 143' ' ' VAL . 4.0 ptm180 -50.66 -22.57 2.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.875 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 13.1 t -77.6 -38.83 47.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.896 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 145' ' ' SER . 4.4 mtp-105 -80.98 -54.73 5.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.459 HG23 ' N ' ' A' ' 144' ' ' GLU . 28.0 m -34.46 -43.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . 0.459 ' N ' HG23 ' A' ' 143' ' ' VAL . 7.6 mt-10 -100.48 -17.24 17.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 142' ' ' ARG . 9.7 t 61.49 44.22 9.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -89.45 161.32 29.84 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.479 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -39.52 6.41 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.723 2.282 . . . . 0.0 112.32 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 2.9 m -71.99 148.41 45.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 18.1 m -142.16 111.44 6.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.843 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.498 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.423 -0.271 . . . . 0.0 112.423 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.3 p -121.88 131.77 54.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.854 0.359 . . . . 0.0 110.833 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.8 t -94.09 135.68 35.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.65 122.43 5.29 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.444 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 m -77.18 153.17 34.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.845 0.355 . . . . 0.0 110.893 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.4 p -122.81 173.34 7.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.836 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.77 -135.32 7.93 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.515 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.0 t -161.82 136.68 7.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.796 0.332 . . . . 0.0 111.125 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -173.36 177.61 2.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -107.73 144.5 34.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.8 mttt -134.72 128.72 33.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.419 ' HB3' ' NZ ' ' A' ' 16' ' ' LYS . 1.8 m -65.46 -175.35 0.25 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.535 ' H ' HD12 ' A' ' 13' ' ' LEU . 6.2 mp -60.54 126.43 27.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.504 ' O ' ' CG ' ' A' ' 15' ' ' GLU . 1.1 tp -43.9 165.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 12.4 pt-20 46.26 55.04 7.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.419 ' NZ ' ' HB3' ' A' ' 12' ' ' CYS . 3.2 tppp? -100.17 155.59 17.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.449 ' HA ' HD12 ' A' ' 20' ' ' ILE . 15.9 m -81.06 -36.16 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.119 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 17' ' ' VAL . 7.0 pt-20 -37.63 -37.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.584 HG23 ' N ' ' A' ' 20' ' ' ILE . 32.3 m -88.7 -48.64 14.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.121 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.584 ' N ' HG23 ' A' ' 19' ' ' VAL . 72.7 mt -47.2 137.14 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.3 m -67.81 157.33 35.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -49.57 -22.33 3.86 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.524 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 52.18 44.8 29.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.8 0.333 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 9.6 pt-20 -119.76 -40.44 2.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.435 ' N ' ' HG3' ' A' ' 24' ' ' GLU . . . -83.08 42.87 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.401 ' HB3' ' OD1' ' A' ' 57' ' ' ASN . 4.7 mm-40 -81.72 -175.02 5.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.402 ' O ' ' OD1' ' A' ' 57' ' ' ASN . 3.3 t -138.35 157.86 45.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -136.54 107.53 6.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 1.038 HG11 HD23 ' A' ' 56' ' ' LEU . 6.3 p -79.44 -33.71 15.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.118 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.737 ' O ' HD12 ' A' ' 30' ' ' LEU . 3.3 pp -166.85 128.17 1.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 1.067 ' CG ' HD11 ' A' ' 53' ' ' LEU . 32.0 tt0 -120.01 140.16 51.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -162.8 141.41 8.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -71.95 131.31 42.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.988 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.8 t -150.5 179.25 8.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -113.54 157.51 21.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.7 tp -132.54 128.08 36.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.955 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -123.76 129.41 51.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.475 ' O ' HG13 ' A' ' 38' ' ' VAL . 3.9 p -111.89 126.11 69.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.094 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -72.62 111.48 7.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.941 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 42' ' ' THR . 2.5 m-20 -97.52 101.71 13.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.403 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 12.2 ttmt -41.59 -24.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 40' ' ' ASP . 48.4 m -62.75 -44.96 94.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.9 m -96.39 -23.7 16.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.403 ' NE2' ' O ' ' A' ' 41' ' ' LYS . 1.3 mm-40 67.8 36.38 3.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.937 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t -156.1 170.16 22.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.543 ' CZ2' HD13 ' A' ' 117' ' ' LEU . 80.9 m95 -71.51 104.96 3.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 92.1 t -103.51 140.18 22.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.117 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -64.4 128.94 37.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.432 ' CZ ' ' HB ' ' A' ' 82' ' ' ILE . 0.6 OUTLIER -110.28 -37.32 5.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.788 -179.905 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 171.57 112.76 0.28 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.421 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.79 147.82 29.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.899 0.38 . . . . 0.0 110.814 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.413 ' N ' ' CE ' ' A' ' 73' ' ' MET . . . 165.55 -121.22 0.98 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.425 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.067 HD11 ' CG ' ' A' ' 31' ' ' GLN . 47.5 tp -98.09 146.88 25.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.807 0.337 . . . . 0.0 110.9 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.448 HD12 ' O ' ' A' ' 72' ' ' VAL . 4.6 tp -143.87 127.49 17.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.29 150.78 30.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.802 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.038 HD23 HG11 ' A' ' 29' ' ' VAL . 3.1 tp -89.43 114.08 25.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.94 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 27' ' ' SER . 4.6 t-20 -91.94 127.3 37.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -95.53 126.89 41.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.503 ' O ' ' N ' ' A' ' 68' ' ' GLN . 17.7 ptt? -136.1 151.13 49.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.75 154.69 31.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.48 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -89.7 157.61 17.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.835 -179.772 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.46 -54.58 3.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.056 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -84.83 -8.94 58.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.856 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.447 ' OD1' ' NH2' ' A' ' 142' ' ' ARG . 68.3 m-20 -119.59 -18.99 8.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.833 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.48 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 53.8 13.07 2.96 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.418 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.8 t -97.79 174.98 6.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.8 0.333 . . . . 0.0 111.147 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.485 ' C ' HD13 ' A' ' 67' ' ' LEU . 2.7 tm? -70.15 99.91 1.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 59' ' ' MET . 7.4 mm-40 -89.38 171.08 10.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 68.4 m -152.26 165.64 34.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -153.62 169.67 22.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.659 HD13 HD13 ' A' ' 103' ' ' ILE . 6.4 mt -107.79 113.33 26.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.448 ' O ' HD12 ' A' ' 54' ' ' LEU . 2.3 t -115.09 145.55 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.57 ' HG3' HD11 ' A' ' 82' ' ' ILE . 13.8 tpt -145.38 123.01 11.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 51.8 mtt-85 -111.16 132.11 54.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.832 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.1 p -71.46 161.05 31.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -90.01 146.15 24.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.79 -57.57 3.04 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.484 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.2 m -83.05 -23.47 33.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.939 0.4 . . . . 0.0 110.886 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 45.01 52.7 8.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.77 125.77 53.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.704 HD11 ' O ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -61.0 133.77 56.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.909 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.704 HD13 ' H ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -127.77 -27.61 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.818 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.704 ' O ' HD11 ' A' ' 81' ' ' LEU . 4.0 tp -125.83 132.61 52.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.638 ' OD1' HG22 ' A' ' 108' ' ' THR . 1.0 OUTLIER -162.83 106.55 1.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.561 HG21 ' HB1' ' A' ' 105' ' ' ALA . 10.8 t -144.87 146.45 32.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.435 ' HD2' ' NE2' ' A' ' 68' ' ' GLN . 23.1 ttpt -88.81 118.42 28.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.709 HD23 ' CE ' ' A' ' 91' ' ' MET . 7.6 mt -56.65 148.22 20.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.551 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 43.2 p90 -129.98 162.83 27.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.823 ' HB1' ' HA ' ' A' ' 140' ' ' ARG . . . -55.72 -46.1 77.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.139 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.551 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 59.9 mm-40 -82.62 32.01 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.926 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.709 ' CE ' HD23 ' A' ' 87' ' ' LEU . 2.5 tpp -72.8 144.26 47.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.827 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -107.5 110.44 22.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.9 tt -145.18 122.58 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -137.89 141.16 40.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.884 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.549 ' HE3' HG22 ' A' ' 125' ' ' THR . 11.5 tptm -79.95 96.75 6.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.913 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.65 -42.84 77.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.053 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.5 t -147.21 165.28 30.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.88 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.16 -19.67 65.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 26.0 mttp -120.26 14.9 12.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.1 p -148.43 147.6 29.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.774 HD11 HG23 ' A' ' 125' ' ' THR . 6.1 mt -139.81 146.04 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.419 ' CD2' ' CD1' ' A' ' 117' ' ' LEU . 11.3 m170 -116.5 110.67 18.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.659 HD13 HD13 ' A' ' 71' ' ' LEU . 1.3 pp -127.17 147.12 32.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.066 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.402 ' O ' ' HE1' ' A' ' 91' ' ' MET . 7.9 p -98.82 120.48 39.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.561 ' HB1' HG21 ' A' ' 85' ' ' THR . . . -138.73 166.22 24.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.039 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.719 ' HG3' HG22 ' A' ' 113' ' ' VAL . 14.8 mtt -93.07 164.51 13.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -103.11 161.71 13.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.822 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.638 HG22 ' OD1' ' A' ' 84' ' ' ASN . 76.2 p -87.13 -36.71 17.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -101.04 -53.12 3.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -64.19 -13.48 49.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 40.85 49.6 2.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -140.34 153.45 23.49 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.428 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.719 HG22 ' HG3' ' A' ' 106' ' ' MET . 42.4 t -81.86 95.46 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.938 0.399 . . . . 0.0 111.118 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.593 ' HG3' ' CE1' ' A' ' 116' ' ' PHE . 1.5 ptpm? -112.0 146.85 37.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.416 ' O ' HG13 ' A' ' 115' ' ' VAL . 4.0 p -87.43 117.67 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.144 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.593 ' CE1' ' HG3' ' A' ' 114' ' ' LYS . 86.5 m-85 -96.74 177.65 5.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.543 HD13 ' CZ2' ' A' ' 46' ' ' TRP . 3.7 tp -129.45 151.29 50.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.919 HD13 HD21 ' A' ' 128' ' ' LEU . 7.6 mt -133.14 101.92 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.118 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.8 t -95.64 113.11 24.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.988 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -140.62 160.97 38.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.04 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 122' ' ' SER . 74.7 m -52.53 151.73 4.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 121' ' ' SER . 99.4 p -35.48 -47.41 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.831 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -75.13 -59.82 2.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.933 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.617 ' HB3' ' HB1' ' A' ' 120' ' ' ALA . 3.6 m-20 -38.68 -51.79 1.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.774 HG23 HD11 ' A' ' 101' ' ' ILE . 89.5 m -54.75 -58.65 6.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -44.87 -43.9 8.5 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.542 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -53.61 -68.05 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.795 0.331 . . . . 0.0 110.835 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.919 HD21 HD13 ' A' ' 118' ' ' ILE . 9.0 tp -50.32 -63.58 1.08 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 95' ' ' LYS . 38.8 t80 -44.96 -58.11 3.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.966 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -50.76 -27.39 7.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.08 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 128' ' ' LEU . . . -76.83 -65.34 0.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 135' ' ' ARG . 20.6 mt -41.52 -66.0 0.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.967 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.473 ' C ' ' O ' ' A' ' 132' ' ' LEU . 10.6 t-160 -31.27 -65.41 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -51.79 -42.76 62.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.577 ' NE ' HD21 ' A' ' 56' ' ' LEU . 15.5 mmt180 -59.19 -30.35 68.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.495 ' N ' HD13 ' A' ' 136' ' ' ILE . 3.0 mm -76.79 -45.19 32.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.039 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.482 ' HA ' ' CG ' ' A' ' 140' ' ' ARG . 34.1 mt -46.74 -46.68 20.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.959 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -56.58 -32.85 65.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.149 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.8 mt -80.74 -66.89 0.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.823 ' HA ' ' HB1' ' A' ' 89' ' ' ALA . 4.0 ptm180 -42.03 -27.19 0.12 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.9 t -67.82 -42.17 81.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . 0.486 ' CZ ' ' HB3' ' A' ' 142' ' ' ARG . 10.8 mtp-105 -50.77 -44.31 58.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.829 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.427 ' C ' ' O ' ' A' ' 142' ' ' ARG . 96.8 t -34.92 -56.86 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.14 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -129.37 138.53 51.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 41.0 t -104.45 79.77 1.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -134.43 176.56 19.8 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.523 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.8 145.23 56.31 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.657 2.238 . . . . 0.0 112.298 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 79.8 p -150.85 118.15 6.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 19.2 m -89.76 -61.04 1.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 -179.959 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.0 t -145.29 156.86 44.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 0.0 110.828 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.4 m -100.24 96.74 7.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.944 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.73 -179.01 36.49 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.481 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.0 m -119.95 138.1 53.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.846 0.355 . . . . 0.0 110.868 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 m -90.31 -54.92 3.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.49 103.4 1.07 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.536 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 57.9 p -122.02 159.8 26.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.331 . . . . 0.0 111.176 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.23 150.04 11.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.11 152.11 20.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.6 139.25 25.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.599 ' C ' HD12 ' A' ' 13' ' ' LEU . 21.3 p -84.06 70.96 10.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.599 HD12 ' C ' ' A' ' 12' ' ' CYS . 5.4 mp -153.09 154.04 34.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 mt -52.06 162.63 0.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 55.07 40.21 31.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.679 ' O ' HG22 ' A' ' 19' ' ' VAL . 4.7 tppt? -43.35 151.9 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 20' ' ' ILE . 27.1 m -70.15 -36.75 69.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -39.33 -33.42 0.15 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.679 HG22 ' O ' ' A' ' 16' ' ' LYS . 27.7 m -91.99 -30.42 4.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.074 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 17' ' ' VAL . 82.1 mt -71.39 145.73 12.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.104 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.532 HG22 ' N ' ' A' ' 22' ' ' GLY . 6.5 m -69.59 166.87 18.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.532 ' N ' HG22 ' A' ' 21' ' ' THR . . . -76.77 54.52 3.38 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.497 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -66.58 -43.01 86.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.818 0.342 . . . . 0.0 110.898 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.476 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 12.0 pt-20 -77.12 -47.18 21.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.476 ' N ' ' HG3' ' A' ' 24' ' ' GLU . . . 37.44 34.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -73.28 169.3 17.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 35.0 m -122.01 118.84 29.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -103.28 86.22 2.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.509 HG21 HD23 ' A' ' 56' ' ' LEU . 91.7 t -38.43 -75.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.575 ' O ' HD12 ' A' ' 30' ' ' LEU . 4.0 pp -140.41 136.3 32.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.835 ' CG ' HD11 ' A' ' 53' ' ' LEU . 31.9 tt0 -117.65 132.78 56.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.958 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.446 ' CE ' HD23 ' A' ' 128' ' ' LEU . 4.0 ptm -159.27 143.76 15.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -74.72 123.85 25.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.957 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.8 t -141.83 176.16 9.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.568 ' HE3' ' CE1' ' A' ' 37' ' ' PHE . 28.1 tttp -114.97 146.45 41.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.7 tp -120.56 130.4 54.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.812 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.568 ' CE1' ' HE3' ' A' ' 35' ' ' LYS . 87.0 m-85 -121.18 137.29 54.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.95 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.599 HG23 ' CE1' ' A' ' 116' ' ' PHE . 5.5 p -115.1 120.88 65.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.478 ' CZ ' ' HA ' ' A' ' 44' ' ' GLN . 20.9 t80 -87.71 116.91 26.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 42' ' ' THR . 5.8 t0 -98.96 101.19 12.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.826 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.7 tttm -39.09 -29.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.934 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 40' ' ' ASP . 36.3 m -58.89 -47.09 86.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.124 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.0 t -92.03 -26.33 18.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.86 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.478 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 1.4 mm-40 67.36 37.3 3.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.923 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.1 t -147.0 167.37 24.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.578 ' CH2' ' HB2' ' A' ' 117' ' ' LEU . 44.0 m95 -82.29 99.57 9.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.948 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 91.7 t -97.03 135.79 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.166 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -66.83 133.44 50.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.7 tpp180 -109.03 -48.9 3.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -177.86 127.54 1.19 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.519 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -116.6 148.88 40.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.858 0.361 . . . . 0.0 110.824 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 166.37 -118.05 0.78 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.538 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.835 HD11 ' CG ' ' A' ' 31' ' ' GLN . 51.7 tp -107.22 141.34 38.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.815 0.34 . . . . 0.0 110.962 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.426 HD12 ' O ' ' A' ' 72' ' ' VAL . 3.9 tp -137.96 131.57 31.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.977 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.659 ' NH2' HG12 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -151.55 154.06 35.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.622 HD21 ' CZ ' ' A' ' 135' ' ' ARG . 7.0 tp -95.55 115.21 27.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -101.45 137.5 39.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.911 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 59' ' ' MET . 0.8 OUTLIER -94.92 140.01 30.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.507 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 22.5 ptt? -147.68 149.24 32.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.65 150.95 30.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.099 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.481 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.6 OUTLIER -82.87 156.81 23.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.783 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.95 -46.64 5.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.092 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -90.64 -8.54 49.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.813 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -122.77 -17.57 6.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.481 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 53.33 16.54 4.93 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.444 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.4 t -102.74 173.86 6.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.809 0.337 . . . . 0.0 111.12 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.526 ' C ' HD13 ' A' ' 67' ' ' LEU . 1.9 tm? -65.11 100.37 0.43 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.555 ' NE2' ' NZ ' ' A' ' 86' ' ' LYS . 6.5 mm-40 -90.6 170.65 9.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.891 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.475 ' HB3' HD12 ' A' ' 87' ' ' LEU . 68.5 m -149.8 144.28 25.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 32.2 ptt180 -142.34 151.51 42.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.449 HD13 HD13 ' A' ' 103' ' ' ILE . 8.4 mt -94.35 121.92 36.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.792 HG13 HD21 ' A' ' 81' ' ' LEU . 3.4 t -117.48 141.35 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.441 ' HG3' HD11 ' A' ' 82' ' ' ILE . 11.0 tpt -142.19 128.93 20.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.434 ' HG2' HD22 ' A' ' 81' ' ' LEU . 45.4 mtm180 -122.37 128.34 50.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.466 HG23 HD12 ' A' ' 82' ' ' ILE . 6.9 p -72.58 142.11 48.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -20.84 66.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -56.27 -78.08 0.13 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 79' ' ' LEU . 3.2 t -126.28 44.06 2.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.927 0.394 . . . . 0.0 110.895 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 78' ' ' SER . 38.2 mt 36.84 38.18 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 49.0 ttt85 -85.51 142.08 29.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.792 HD21 HG13 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -89.21 134.0 34.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.545 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -126.25 -24.47 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.833 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.437 ' O ' HD11 ' A' ' 81' ' ' LEU . 6.4 tp -126.14 107.39 10.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -134.91 69.84 1.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.42 HG21 ' HB1' ' A' ' 105' ' ' ALA . 7.3 t -110.16 152.57 25.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.555 ' NZ ' ' NE2' ' A' ' 68' ' ' GLN . 5.9 tmmm? -100.2 124.98 46.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.627 HD23 ' HE2' ' A' ' 91' ' ' MET . 41.8 mt -56.8 141.4 44.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.568 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 46.1 p90 -127.39 154.95 44.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.96 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.401 ' HB1' ' HA ' ' A' ' 140' ' ' ARG . . . -48.1 -49.83 30.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.135 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.568 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 89.4 mm-40 -80.33 31.18 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.627 ' HE2' HD23 ' A' ' 87' ' ' LEU . 3.1 tpp -73.35 142.65 47.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -105.31 119.36 38.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.922 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.45 HD12 HD23 ' A' ' 132' ' ' LEU . 1.3 tt -151.99 117.22 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.155 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -134.04 139.2 45.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.507 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 12.1 tptm -75.89 98.51 4.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.488 ' HB2' ' CD2' ' A' ' 102' ' ' HIS . . . -66.26 -48.14 71.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.123 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.1 m -142.64 -175.29 4.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.743 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -76.6 -39.17 53.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.47 26.42 9.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.7 m -159.12 152.22 22.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.819 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.485 HD12 HD11 ' A' ' 128' ' ' LEU . 6.8 mt -140.08 158.02 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.179 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.488 ' CD2' ' HB2' ' A' ' 96' ' ' ALA . 3.6 m-70 -119.34 100.7 7.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.559 ' C ' HD12 ' A' ' 103' ' ' ILE . 1.1 pp -120.71 140.77 43.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.095 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.404 ' O ' ' HE1' ' A' ' 91' ' ' MET . 37.2 p -96.65 123.46 40.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.425 ' HB3' ' CD2' ' A' ' 116' ' ' PHE . . . -134.11 170.85 15.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.533 ' HG3' HG22 ' A' ' 113' ' ' VAL . 35.2 mtt -107.2 153.16 23.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -88.32 166.42 14.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.856 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 69.1 p -87.5 -38.1 16.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -94.88 -55.94 2.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -68.17 -16.65 64.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 40.31 46.07 1.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -128.02 149.97 18.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.557 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.533 HG22 ' HG3' ' A' ' 106' ' ' MET . 60.7 t -84.84 117.77 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.903 0.383 . . . . 0.0 111.151 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.455 ' HD2' ' CZ ' ' A' ' 116' ' ' PHE . 7.2 ptpt -128.0 174.1 9.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 83.7 t -93.95 109.99 22.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.599 ' CE1' HG23 ' A' ' 38' ' ' VAL . 49.3 m-85 -98.55 171.79 7.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.974 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.578 ' HB2' ' CH2' ' A' ' 46' ' ' TRP . 3.7 tp -137.08 155.02 50.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.63 HG22 ' SG ' ' A' ' 34' ' ' CYS . 10.1 mt -134.49 101.13 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.16 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 41.7 t -92.32 111.03 22.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.78 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.957 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -137.26 177.58 7.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.084 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 122' ' ' SER . 2.9 m -61.92 145.06 54.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 121' ' ' SER . 67.1 p -37.77 -36.13 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.793 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.2 -58.15 2.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -44.39 -54.44 5.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.849 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 73.6 m -43.44 -42.04 4.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -68.82 -35.02 78.78 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.48 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -58.87 -68.32 0.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.817 0.341 . . . . 0.0 110.936 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.485 HD11 HD12 ' A' ' 101' ' ' ILE . 1.1 pp -53.34 -39.54 64.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.507 ' CZ ' ' HB2' ' A' ' 95' ' ' LYS . 18.6 t80 -59.69 -57.66 11.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -49.53 -41.33 40.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.067 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 132' ' ' LEU . . . -62.91 -66.34 0.56 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.121 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.484 ' O ' ' C ' ' A' ' 133' ' ' HIS . 9.2 mp -36.75 -67.7 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.484 ' C ' ' O ' ' A' ' 132' ' ' LEU . 2.4 t-160 -31.64 -67.15 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.825 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 135' ' ' ARG . 55.6 t60 -47.69 -57.86 5.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.861 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.622 ' CZ ' HD21 ' A' ' 56' ' ' LEU . 7.7 mmm180 -35.89 -36.98 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.434 HG12 ' HB3' ' A' ' 91' ' ' MET . 4.1 mp -85.59 -48.22 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 56.0 mt -45.08 -29.58 0.92 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.965 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -75.93 -36.38 59.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.052 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.7 mt -73.28 -56.51 4.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.935 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.401 ' HA ' ' HB1' ' A' ' 89' ' ' ALA . 5.7 ptm180 -47.83 -24.26 0.95 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 29.3 t -78.52 -42.56 29.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.824 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 24.0 mtt-85 -62.97 -48.53 78.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.81 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 99.8 t -43.32 -63.36 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.168 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -123.3 141.33 52.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.4 t -81.03 97.12 7.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -130.98 145.75 17.18 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.69 128.79 16.6 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.751 2.301 . . . . 0.0 112.309 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 38.7 m -101.5 -61.61 1.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 34.1 p -120.33 129.61 54.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.473 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -100.35 -50.0 4.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.868 0.366 . . . . 0.0 110.853 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.6 t -130.28 147.87 52.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.827 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.02 -140.95 3.12 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.494 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.6 p -139.15 166.07 25.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.866 0.365 . . . . 0.0 110.837 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.7 p -105.43 171.81 7.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.903 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.86 140.15 2.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.504 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.4 t -160.53 128.63 4.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.815 0.341 . . . . 0.0 111.096 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -135.95 145.48 46.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.55 135.74 13.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.5 ttpt -110.39 119.73 40.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 23.7 p -67.44 162.79 22.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.817 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.72 ' O ' HD12 ' A' ' 14' ' ' LEU . 2.5 tt 71.32 48.59 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.72 HD12 ' O ' ' A' ' 13' ' ' LEU . 4.6 mp -155.54 156.55 35.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 14' ' ' LEU . 31.6 mt-10 34.91 36.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.719 ' O ' HG22 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -100.12 144.77 28.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.9 m -68.17 -31.33 51.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.136 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -46.67 -36.28 6.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.84 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.719 HG22 ' O ' ' A' ' 16' ' ' LYS . 26.8 m -85.61 -31.07 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.552 HG22 ' H ' ' A' ' 23' ' ' GLU . 16.1 mt -67.08 140.35 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.4 m -86.24 -75.35 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.117 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.21 -40.53 52.52 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.51 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.552 ' H ' HG22 ' A' ' 20' ' ' ILE . 7.7 mt-10 45.06 38.53 3.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.792 0.329 . . . . 0.0 110.885 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 12.1 pt-20 -114.47 -51.98 2.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.839 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.434 ' N ' ' HG3' ' A' ' 24' ' ' GLU . . . 43.94 38.75 2.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.077 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -82.39 155.6 24.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 t -146.29 109.45 4.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.856 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.401 ' ND2' ' HB2' ' A' ' 55' ' ' ARG . 2.2 t-20 -83.0 110.57 18.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.716 ' HB ' HD23 ' A' ' 56' ' ' LEU . 85.4 t -67.02 -67.39 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.465 ' O ' HD12 ' A' ' 30' ' ' LEU . 4.5 pp -135.7 139.41 43.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.918 ' CG ' HD11 ' A' ' 53' ' ' LEU . 18.7 tt0 -129.3 132.1 47.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.559 ' O ' HD12 ' A' ' 53' ' ' LEU . 5.1 ptt? -158.96 161.01 36.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -85.69 118.69 25.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.908 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.5 t -137.82 177.45 7.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.831 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -118.96 138.32 52.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.3 tp -111.99 121.96 46.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -115.53 140.86 48.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.491 HG23 ' CE1' ' A' ' 116' ' ' PHE . 8.2 p -120.61 130.06 74.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.106 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.497 ' CZ ' ' HA ' ' A' ' 44' ' ' GLN . 20.9 t80 -85.69 131.36 34.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 42' ' ' THR . 7.9 t0 -116.99 104.16 11.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.5 ptpp? -41.71 -24.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 40' ' ' ASP . 76.8 m -63.06 -43.97 97.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.154 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.1 t -101.5 -10.97 19.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.801 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.497 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 0.9 OUTLIER 54.75 34.42 21.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -148.46 167.94 24.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.519 ' CZ3' ' HB2' ' A' ' 117' ' ' LEU . 97.3 m95 -79.02 111.21 15.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.859 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 90.3 t -104.64 140.86 21.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -52.75 142.13 19.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -123.68 -37.01 2.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 163.06 126.24 0.81 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.443 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.7 ptp180 -117.77 149.95 39.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.82 0.343 . . . . 0.0 110.88 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 170.83 -105.98 0.23 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.55 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.918 HD11 ' CG ' ' A' ' 31' ' ' GLN . 10.8 tp -136.03 118.65 15.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.832 0.349 . . . . 0.0 110.93 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.716 HD12 ' O ' ' A' ' 72' ' ' VAL . 11.0 tp -94.73 142.19 27.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.963 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.629 ' O ' HG22 ' A' ' 72' ' ' VAL . 13.4 ptt180 -151.32 153.5 34.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.716 HD23 ' HB ' ' A' ' 29' ' ' VAL . 3.2 tp -107.47 112.56 25.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -96.12 131.87 42.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.618 ' CG ' HD21 ' A' ' 67' ' ' LEU . 8.2 t0 -97.13 142.56 28.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.478 ' CE ' ' HG3' ' A' ' 86' ' ' LYS . 19.5 ptt? -146.43 155.19 42.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.41 145.99 26.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.456 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -80.81 160.47 24.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.845 -179.786 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.0 -69.7 0.75 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -71.32 -19.76 62.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -104.78 -23.85 12.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.456 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 56.15 10.68 4.05 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.497 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.449 HG21 ' HD2' ' A' ' 142' ' ' ARG . 6.5 t -93.58 172.49 8.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.35 . . . . 0.0 111.181 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.618 HD21 ' CG ' ' A' ' 58' ' ' ASP . 3.4 tm? -65.87 100.08 0.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 59' ' ' MET . 5.9 mm-40 -91.54 165.69 13.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.465 ' C ' HD12 ' A' ' 87' ' ' LEU . 9.5 m -149.16 169.85 19.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.3 ptp85 -158.48 160.45 36.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.478 HD21 HH22 ' A' ' 135' ' ' ARG . 4.9 mt -93.17 155.24 17.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.716 ' O ' HD12 ' A' ' 54' ' ' LEU . 0.9 OUTLIER -153.03 153.69 8.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.819 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.403 ' HB3' ' HB3' ' A' ' 83' ' ' LEU . 8.3 tpt -153.18 113.55 4.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.44 ' NH1' ' NH1' ' A' ' 55' ' ' ARG . 30.3 mtm180 -106.1 129.89 54.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.7 p -74.11 152.61 39.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.101 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -80.39 83.6 6.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -176.74 -71.91 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.498 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.5 m -130.22 39.9 3.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.815 0.34 . . . . 0.0 110.839 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.41 HD22 ' HD2' ' A' ' 74' ' ' ARG . 35.9 mt 39.85 46.9 1.75 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.955 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -85.67 118.19 25.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.556 HD13 ' N ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -80.3 132.8 35.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.556 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -125.96 -22.18 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.828 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.513 ' O ' HD11 ' A' ' 81' ' ' LEU . 11.3 tp -124.84 107.88 11.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -142.0 105.02 4.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.7 t -139.88 156.36 46.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.478 ' HG3' ' CE ' ' A' ' 59' ' ' MET . 23.7 ttpt -97.6 123.09 41.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.84 HD13 ' HB3' ' A' ' 135' ' ' ARG . 1.1 mt -57.91 154.78 11.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.957 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.613 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 48.3 p90 -140.59 150.4 43.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.871 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -46.61 -43.95 17.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.613 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 3.1 mp0 -82.11 24.8 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.522 ' HA ' ' CE2' ' A' ' 88' ' ' TRP . 3.7 tpp -68.26 135.28 51.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -99.11 123.61 43.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.962 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.632 HD12 HD22 ' A' ' 132' ' ' LEU . 1.2 tt -154.42 113.78 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.081 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -128.28 142.99 50.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.828 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -82.46 95.19 7.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.406 ' HB2' ' CD2' ' A' ' 102' ' ' HIS . . . -66.23 -43.92 85.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.089 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.7 t -149.12 171.32 16.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.782 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -75.12 -4.38 38.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 23.8 mtmt -129.36 -2.95 4.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.444 ' OG ' HD21 ' A' ' 117' ' ' LEU . 1.2 t -136.76 146.66 46.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.457 HD11 ' O ' ' A' ' 125' ' ' THR . 54.2 mt -138.24 138.37 43.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.146 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.552 ' CD2' HD12 ' A' ' 117' ' ' LEU . 14.2 m170 -102.94 104.44 14.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.816 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.468 ' C ' HD12 ' A' ' 103' ' ' ILE . 0.9 OUTLIER -118.45 143.53 29.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.142 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 10.3 p -98.5 118.34 34.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -136.18 166.96 22.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.135 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.514 ' HG3' HG22 ' A' ' 113' ' ' VAL . 40.2 mtt -98.55 136.43 38.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.488 ' OD2' ' N ' ' A' ' 110' ' ' ASP . 3.9 p-10 -83.84 169.4 15.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.935 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 48.4 p -104.56 -14.82 15.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -86.36 -57.0 3.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.913 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.488 ' N ' ' OD2' ' A' ' 107' ' ' ASP . 23.4 t70 -100.09 8.72 43.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.486 ' N ' ' OD2' ' A' ' 107' ' ' ASP . 11.1 mt-30 34.81 51.6 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.418 ' H ' ' CG ' ' A' ' 107' ' ' ASP . . . -132.11 167.91 22.72 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.487 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.514 HG22 ' HG3' ' A' ' 106' ' ' MET . 58.5 t -96.84 118.8 43.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.875 0.369 . . . . 0.0 111.121 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.418 ' NZ ' ' HB3' ' A' ' 114' ' ' LYS . 1.4 ptpm? -132.76 162.86 30.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.926 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 89.5 t -83.17 112.92 21.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.199 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.491 ' CE1' HG23 ' A' ' 38' ' ' VAL . 58.3 m-85 -99.76 173.91 6.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.552 HD12 ' CD2' ' A' ' 102' ' ' HIS . 3.4 tp -137.24 156.54 48.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.566 HD13 ' CD1' ' A' ' 128' ' ' LEU . 24.9 mt -133.53 107.64 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.162 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.3 t -96.4 109.35 21.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.908 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -139.93 172.79 12.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.058 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 122' ' ' SER . 45.7 t -59.13 144.74 44.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 121' ' ' SER . 5.1 p -37.32 -35.16 0.11 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -86.91 -63.68 1.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 127' ' ' GLN . 24.4 m-20 -40.31 -61.04 0.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.926 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.593 ' HA ' HD21 ' A' ' 128' ' ' LEU . 19.7 m -36.05 -35.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 124' ' ' ASP . . . -73.23 -41.46 46.51 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.422 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 124' ' ' ASP . 7.5 mt-30 -42.72 -69.51 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.853 0.359 . . . . 0.0 110.9 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.911 ' O ' HD12 ' A' ' 132' ' ' LEU . 1.2 pt? -53.08 -40.8 64.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.959 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.507 ' N ' ' HG ' ' A' ' 128' ' ' LEU . 16.7 t80 -53.81 -63.0 1.29 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -48.94 -19.08 0.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.102 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 128' ' ' LEU . . . -88.43 -59.99 2.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.095 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.911 HD12 ' O ' ' A' ' 128' ' ' LEU . 3.6 mp -38.02 -63.82 0.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.536 ' ND1' HD11 ' A' ' 137' ' ' LEU . 2.2 t-160 -34.25 -64.62 0.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.961 ' HA ' HD12 ' A' ' 137' ' ' LEU . 55.4 t60 -47.1 -59.5 3.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.84 ' HB3' HD13 ' A' ' 87' ' ' LEU . 46.1 mtm180 -36.01 -30.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.527 HD12 ' N ' ' A' ' 136' ' ' ILE . 3.6 mp -94.28 -46.88 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.106 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.961 HD12 ' HA ' ' A' ' 134' ' ' HIS . 5.8 mt -50.94 -33.12 23.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -69.36 -24.89 63.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.14 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.1 mt -90.21 -55.73 3.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.477 ' CG ' ' HA ' ' A' ' 137' ' ' LEU . 2.7 ptp180 -57.58 -19.09 23.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 47.1 t -75.43 -35.16 61.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . 0.484 ' CZ ' ' HB3' ' A' ' 142' ' ' ARG . 5.3 mtp-105 -72.65 -51.68 18.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.498 HG23 ' N ' ' A' ' 144' ' ' GLU . 26.9 m -55.47 -46.42 78.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . 0.498 ' N ' HG23 ' A' ' 143' ' ' VAL . 5.3 mm-40 -137.98 118.56 13.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.821 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 28.0 t -126.8 123.12 36.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -71.12 165.38 53.26 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -2.12 9.6 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.685 2.257 . . . . 0.0 112.343 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 58.4 m -57.82 141.36 49.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.791 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 34.6 p -108.62 154.79 21.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.506 -179.966 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.541 -0.223 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.7 p -128.41 153.48 47.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.88 0.371 . . . . 0.0 110.869 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.7 t -88.12 -54.89 3.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.829 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.04 -179.76 45.19 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.509 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -132.91 122.49 24.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.836 0.351 . . . . 0.0 110.89 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.2 p -112.37 174.53 5.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.98 128.87 2.0 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.538 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.7 t -172.48 163.97 5.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.811 0.339 . . . . 0.0 111.1 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.55 178.71 4.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.085 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.47 154.29 14.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.922 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.5 -3.72 19.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.9 m -150.61 108.85 3.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.503 HD23 ' HE3' ' A' ' 16' ' ' LYS . 25.1 tp -77.28 121.34 23.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 mp -70.95 -31.73 68.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -84.58 23.77 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.503 ' HE3' HD23 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -89.56 151.44 21.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.962 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.496 ' O ' ' N ' ' A' ' 20' ' ' ILE . 2.0 t -93.62 -37.15 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.114 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 17' ' ' VAL . 9.5 pt-20 -37.09 -39.38 0.24 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.0 m -80.39 -36.44 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.139 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.496 ' N ' ' O ' ' A' ' 17' ' ' VAL . 71.1 mt -66.88 136.86 25.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.181 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.9 m -80.74 -74.69 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -168.25 49.94 0.23 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.434 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 24' ' ' GLU . 16.0 pt-20 -95.26 43.79 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.339 . . . . 0.0 110.818 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.469 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 17.0 pt-20 -34.72 -49.01 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.469 ' N ' ' HG3' ' A' ' 24' ' ' GLU . . . 44.95 26.03 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -128.94 160.59 32.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.9 t -122.58 153.81 38.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -126.92 88.1 2.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.504 ' HB ' HD23 ' A' ' 56' ' ' LEU . 76.9 t -47.99 -60.7 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.086 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 pp -151.86 140.58 20.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.868 ' CG ' HD11 ' A' ' 53' ' ' LEU . 31.0 tt0 -117.96 138.53 52.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.6 ptm -161.31 130.46 4.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -67.72 130.53 43.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.726 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 2.2 t -151.04 177.23 10.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -114.86 162.63 16.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.432 HD23 ' HD2' ' A' ' 49' ' ' ARG . 11.0 tp -128.65 121.25 28.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.962 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -116.21 117.43 30.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.7 p -104.68 137.88 31.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.077 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.429 ' CZ ' ' HA ' ' A' ' 44' ' ' GLN . 10.8 t80 -85.35 132.68 34.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 42' ' ' THR . 4.6 m-20 -121.16 104.4 9.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.479 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 2.8 ptpp? -37.88 -27.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.828 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.492 ' N ' ' O ' ' A' ' 40' ' ' ASP . 36.4 m -60.29 -49.5 77.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.18 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.5 t -91.93 -24.48 19.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.479 ' NE2' ' O ' ' A' ' 41' ' ' LYS . 1.0 OUTLIER 66.61 36.01 5.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.9 m -161.38 -178.44 6.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.518 ' CH2' ' HB2' ' A' ' 117' ' ' LEU . 68.6 m95 -72.36 113.8 9.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 71.1 t -109.83 135.96 47.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.075 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.413 ' HG3' ' NH2' ' A' ' 51' ' ' ARG . 7.1 tm-20 -52.15 132.05 32.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.432 ' HD2' HD23 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -120.73 -31.18 4.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.839 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 158.81 132.98 1.45 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.506 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.413 ' NH2' ' HG3' ' A' ' 48' ' ' GLU . 1.5 ptp85 -120.8 141.29 50.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.764 0.316 . . . . 0.0 110.928 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.12 -134.66 3.18 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.488 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.868 HD11 ' CG ' ' A' ' 31' ' ' GLN . 43.9 tp -96.44 148.72 22.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.809 0.338 . . . . 0.0 110.924 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.541 HD12 ' O ' ' A' ' 72' ' ' VAL . 4.6 tp -142.89 133.32 24.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.565 ' NH2' HG12 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -151.33 155.38 38.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.006 HD22 ' HB1' ' A' ' 131' ' ' ALA . 3.3 tp -91.64 110.86 22.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -92.44 142.65 27.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -108.49 138.79 44.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.496 ' O ' ' N ' ' A' ' 68' ' ' GLN . 21.7 ptt? -150.14 152.54 34.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -83.21 157.36 22.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.476 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -88.34 157.66 18.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 -179.759 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.7 -47.87 5.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.157 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -90.32 -9.59 47.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.878 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.411 ' HB2' HG22 ' A' ' 66' ' ' THR . 2.4 m-20 -121.59 -14.56 8.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.476 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 50.07 16.22 1.25 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.451 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.411 HG22 ' HB2' ' A' ' 64' ' ' ASP . 12.0 t -99.25 174.61 6.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.878 0.37 . . . . 0.0 111.122 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.417 ' C ' HD13 ' A' ' 67' ' ' LEU . 2.5 tm? -68.3 99.9 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.538 ' NE2' ' NZ ' ' A' ' 86' ' ' LYS . 6.7 mm-40 -87.95 170.79 10.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.9 m -155.76 150.51 26.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.808 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.426 ' CB ' ' HA ' ' A' ' 86' ' ' LYS . 1.9 ptp180 -146.26 163.06 36.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.845 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.998 HD21 HD21 ' A' ' 132' ' ' LEU . 7.0 mt -102.48 121.78 43.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.671 HG22 ' OD1' ' A' ' 84' ' ' ASN . 3.2 t -117.45 142.22 32.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.616 ' HB2' HD23 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -144.95 124.4 13.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.848 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.477 ' N ' ' SD ' ' A' ' 73' ' ' MET . 83.3 mtt180 -122.04 127.94 50.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.88 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.2 p -68.59 152.0 45.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.17 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.451 ' CD ' ' O ' ' A' ' 76' ' ' GLN . 0.0 OUTLIER -78.45 132.12 37.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 128.98 -69.23 0.53 Allowed Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.478 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.6 p -128.03 28.72 5.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.921 0.391 . . . . 0.0 110.872 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.408 HD22 ' HD2' ' A' ' 74' ' ' ARG . 42.9 mt 37.7 53.31 1.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -85.38 102.12 13.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.833 HD13 ' N ' ' A' ' 82' ' ' ILE . 0.5 OUTLIER -58.72 134.04 56.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.833 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -129.24 -30.29 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.092 179.9 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.616 HD23 ' HB2' ' A' ' 73' ' ' MET . 3.8 tp -122.83 130.94 53.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.959 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.671 ' OD1' HG22 ' A' ' 72' ' ' VAL . 15.5 m-20 -163.38 105.82 0.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.2 t -147.25 141.26 25.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.538 ' NZ ' ' NE2' ' A' ' 68' ' ' GLN . 3.8 tmmm? -82.87 128.98 34.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.723 HD23 ' CE ' ' A' ' 91' ' ' MET . 27.6 mt -61.21 136.36 58.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.945 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.556 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 42.1 p90 -116.32 160.51 20.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.992 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.67 -45.33 70.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.112 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.556 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 27.1 mm-40 -83.93 32.31 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.958 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.723 ' CE ' HD23 ' A' ' 87' ' ' LEU . 1.1 tpp -68.7 138.59 55.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -106.2 111.46 24.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.9 tt -145.84 116.98 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.076 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -125.68 144.56 50.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 11.1 tptm -86.43 95.43 9.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.02 -38.38 90.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.104 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.4 t -160.75 172.6 16.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -77.41 -0.27 25.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 51.5 mttt -121.06 -27.78 4.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 80.2 p -122.7 154.4 38.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.828 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.453 HD13 ' HB2' ' A' ' 129' ' ' TYR . 7.2 mt -138.71 144.84 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.12 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.689 ' CD2' HD12 ' A' ' 117' ' ' LEU . 11.2 m170 -111.28 109.65 19.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.802 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.533 ' C ' HD12 ' A' ' 103' ' ' ILE . 1.2 pp -125.9 143.39 39.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.073 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 35.6 p -98.76 126.69 44.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.19 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -140.09 167.64 21.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.794 ' HG3' HG22 ' A' ' 113' ' ' VAL . 10.0 mtt -95.06 161.93 13.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -96.8 171.51 8.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 72.1 p -93.45 -37.06 12.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -100.18 -54.99 2.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -65.0 -13.06 56.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 40.92 45.01 2.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -137.4 150.7 20.85 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.561 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.794 HG22 ' HG3' ' A' ' 106' ' ' MET . 43.6 t -81.34 138.47 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.961 0.41 . . . . 0.0 111.109 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -144.0 176.65 9.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 45.4 t -94.12 102.67 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.062 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -95.86 136.75 35.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.689 HD12 ' CD2' ' A' ' 102' ' ' HIS . 4.8 tp -101.08 155.27 18.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.593 HD13 ' CD2' ' A' ' 128' ' ' LEU . 57.5 mt -129.79 102.83 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.193 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 46.7 t -94.05 104.53 16.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.726 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -134.07 174.77 10.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.098 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 122' ' ' SER . 47.7 t -69.91 141.67 53.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.803 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 121' ' ' SER . 5.5 p -35.97 -35.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 121' ' ' SER . 52.0 tptt -79.85 -60.22 2.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.858 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 125' ' ' THR . 69.9 m-20 -50.96 -53.78 30.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.429 HG23 HD11 ' A' ' 101' ' ' ILE . 47.2 m -36.83 -52.22 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -55.58 -54.96 31.19 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.52 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -40.76 -69.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 110.94 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.593 ' CD2' HD13 ' A' ' 118' ' ' ILE . 30.8 tp -47.75 -66.95 0.32 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 95' ' ' LYS . 37.9 t80 -35.94 -59.5 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -47.79 -42.68 26.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.109 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 1.006 ' HB1' HD22 ' A' ' 56' ' ' LEU . . . -61.88 -69.53 0.24 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.09 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.998 HD21 HD21 ' A' ' 71' ' ' LEU . 11.0 mp -45.43 -69.08 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.452 ' C ' ' O ' ' A' ' 132' ' ' LEU . 11.9 t-80 -34.3 -55.82 0.51 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 135' ' ' ARG . 50.6 t60 -55.59 -58.89 5.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.947 ' HE ' HD21 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -37.93 -42.32 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 -179.899 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.611 HD11 HD22 ' A' ' 87' ' ' LEU . 2.9 mm -64.69 -53.7 38.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 36.6 mt -38.74 -40.28 0.59 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -67.28 -39.35 86.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.102 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 136' ' ' ILE . 4.6 mt -71.11 -55.73 7.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -42.03 -40.16 2.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 33.3 t -56.04 -41.86 75.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . 0.427 ' O ' ' C ' ' A' ' 143' ' ' VAL . 27.1 mtp85 -53.2 -43.43 67.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.427 ' C ' ' O ' ' A' ' 142' ' ' ARG . 89.3 t -35.25 -56.14 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.088 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -132.87 139.14 47.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 36.3 p -74.03 101.19 3.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.817 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -89.86 -176.83 45.31 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.531 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -1.72 8.98 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.608 2.205 . . . . 0.0 112.362 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 98.8 p -44.02 99.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 89.9 p -77.51 136.66 38.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.445 179.968 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 t -156.53 164.08 38.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.829 0.347 . . . . 0.0 110.84 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.6 p -86.93 165.61 15.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.908 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.14 52.33 0.8 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.466 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.6 p -115.58 171.19 7.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.832 0.349 . . . . 0.0 110.918 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.2 p -63.99 124.62 22.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.84 49.37 0.58 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.452 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.6 t -85.08 162.42 19.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.804 0.335 . . . . 0.0 111.131 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -145.14 174.99 10.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.103 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.23 158.89 43.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.4 mmtm -141.86 124.0 15.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.0 t -173.0 115.56 0.27 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.435 ' HA ' HD23 ' A' ' 13' ' ' LEU . 11.5 mt -160.11 -176.68 5.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.7 mt -50.19 -41.5 49.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.917 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.426 ' CD ' ' H ' ' A' ' 15' ' ' GLU . 7.5 pm0 -76.78 59.51 1.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.819 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -74.71 155.06 38.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.799 HG22 HD12 ' A' ' 20' ' ' ILE . 2.0 t -82.89 -41.04 16.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.149 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -39.66 -33.02 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.2 m -88.93 -31.17 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.799 HD12 HG22 ' A' ' 17' ' ' VAL . 80.9 mt -51.24 158.84 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.172 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.502 ' N ' HG22 ' A' ' 20' ' ' ILE . 0.2 OUTLIER -102.19 164.09 11.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.092 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 25' ' ' ALA . . . 77.14 -38.61 1.58 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.475 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.4 ' OE2' ' O ' ' A' ' 17' ' ' VAL . 1.1 pt-20 -40.59 -40.4 1.25 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.854 0.359 . . . . 0.0 110.875 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.404 ' CD ' ' H ' ' A' ' 24' ' ' GLU . 1.3 pm0 -81.06 -28.01 35.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 22' ' ' GLY . . . -98.83 29.29 3.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.144 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -66.02 -175.85 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.2 m -96.8 148.64 22.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.451 ' ND2' ' HB2' ' A' ' 55' ' ' ARG . 0.9 OUTLIER -130.47 114.41 15.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.0 t -68.09 -66.58 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.109 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.492 HD11 ' HA ' ' A' ' 128' ' ' LEU . 4.5 pp -138.63 140.44 38.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.839 ' CG ' HD11 ' A' ' 53' ' ' LEU . 25.1 tt0 -126.47 134.87 50.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.82 ' CE ' HD23 ' A' ' 128' ' ' LEU . 4.1 ptm -161.27 142.43 11.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -70.44 122.31 19.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.721 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.8 t -139.17 177.89 7.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -116.64 159.57 22.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.587 HD21 ' CD2' ' A' ' 116' ' ' PHE . 5.2 tp -130.49 135.09 47.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -135.35 135.69 40.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.56 ' CG1' ' CE2' ' A' ' 116' ' ' PHE . 31.3 m -121.59 150.25 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -87.34 134.34 33.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.838 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.48 ' O ' ' C ' ' A' ' 41' ' ' LYS . 1.4 t0 -122.96 93.14 3.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.492 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 3.6 ttmm -31.38 -38.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 40' ' ' ASP . 9.9 m -54.51 -51.75 64.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 40' ' ' ASP . 8.7 t -85.75 -26.26 25.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.492 ' NE2' ' O ' ' A' ' 41' ' ' LYS . 1.4 mm-40 65.97 38.6 4.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 34.1 m -164.61 174.77 10.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 63.8 m95 -71.35 125.68 27.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 76.7 t -118.7 135.12 60.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.064 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -62.62 121.82 14.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -103.19 -37.42 7.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 169.06 118.1 0.43 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.486 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -111.7 137.69 49.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.798 0.333 . . . . 0.0 110.885 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.568 ' H ' ' HE1' ' A' ' 73' ' ' MET . . . 177.76 -127.27 1.16 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.421 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.839 HD11 ' CG ' ' A' ' 31' ' ' GLN . 57.4 tp -98.42 134.88 40.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.342 . . . . 0.0 110.989 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.64 HD12 ' O ' ' A' ' 72' ' ' VAL . 4.4 tp -131.94 134.77 46.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.451 ' HB2' ' ND2' ' A' ' 28' ' ' ASN . 0.0 OUTLIER -151.27 153.02 34.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.876 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.711 HD21 ' HD2' ' A' ' 135' ' ' ARG . 5.2 tp -96.4 108.21 20.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -92.51 143.68 26.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.823 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -111.44 126.67 55.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.495 ' O ' ' N ' ' A' ' 68' ' ' GLN . 11.7 ptt? -128.44 161.08 30.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.33 147.66 25.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.062 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.473 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.5 OUTLIER -83.63 156.07 22.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.882 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.88 -51.44 3.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.145 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -86.25 -10.37 54.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.808 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -119.63 -17.34 8.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.473 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 52.61 14.07 2.29 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.49 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.1 t -99.17 174.66 6.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.821 0.343 . . . . 0.0 111.129 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.449 ' C ' HD13 ' A' ' 67' ' ' LEU . 2.4 tm? -68.43 99.49 0.96 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 59' ' ' MET . 6.6 mm-40 -88.67 171.03 10.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.2 m -151.18 164.79 35.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -155.79 163.36 39.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.939 HD21 HD11 ' A' ' 132' ' ' LEU . 9.7 mt -104.44 119.35 38.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.959 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.64 ' O ' HD12 ' A' ' 54' ' ' LEU . 2.3 t -120.9 146.56 25.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.11 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.568 ' HE1' ' H ' ' A' ' 52' ' ' GLY . 12.2 tpt -149.21 114.27 5.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.8 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.445 ' CZ ' HD12 ' A' ' 79' ' ' LEU . 42.7 mtp180 -105.7 130.72 53.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.562 HG23 HD12 ' A' ' 82' ' ' ILE . 12.9 p -68.23 155.64 39.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.083 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.435 ' CD ' ' O ' ' A' ' 76' ' ' GLN . 3.3 pp0? -92.33 39.97 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -123.73 -69.23 0.22 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.508 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 79' ' ' LEU . 7.5 m -134.18 43.33 2.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.888 0.375 . . . . 0.0 110.795 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.445 HD12 ' CZ ' ' A' ' 74' ' ' ARG . 4.0 mm? 37.28 53.51 1.28 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.826 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.402 ' HD2' ' O ' ' A' ' 81' ' ' LEU . 1.1 tpp85 -104.59 110.44 22.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.574 HD11 ' O ' ' A' ' 83' ' ' LEU . 0.1 OUTLIER -66.76 129.87 41.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.896 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.647 HD13 ' H ' ' A' ' 82' ' ' ILE . 0.3 OUTLIER -124.02 -21.2 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.096 179.857 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.574 ' O ' HD11 ' A' ' 81' ' ' LEU . 6.9 tp -127.73 112.18 14.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.451 ' OD1' ' C ' ' A' ' 84' ' ' ASN . 9.6 t-20 -145.03 105.09 4.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.7 t -144.52 154.92 43.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.075 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.476 ' HD2' ' NE2' ' A' ' 68' ' ' GLN . 19.8 ttpt -99.3 123.83 43.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.645 HD23 ' HE2' ' A' ' 91' ' ' MET . 15.4 mt -56.66 139.05 51.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.558 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 42.9 p90 -120.52 161.43 21.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.437 ' HB1' ' HA ' ' A' ' 140' ' ' ARG . . . -54.44 -46.1 73.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.176 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.558 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 72.5 mm-40 -83.19 32.45 0.44 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.645 ' HE2' HD23 ' A' ' 87' ' ' LEU . 1.5 tpp -72.68 135.73 45.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -102.56 118.5 36.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.7 tt -149.22 134.15 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.157 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -148.51 144.14 27.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.66 ' HE3' HG22 ' A' ' 125' ' ' THR . 12.0 tptm -85.13 93.95 8.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.985 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.483 ' HB2' ' CD2' ' A' ' 102' ' ' HIS . . . -56.6 -48.93 76.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.8 t -146.5 -178.95 6.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.802 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -66.04 -39.9 90.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.837 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -110.7 32.57 5.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 39.8 p -156.88 139.66 15.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.665 ' CD1' HD11 ' A' ' 128' ' ' LEU . 3.6 mt -133.67 148.1 30.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.186 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.545 ' CD2' HD12 ' A' ' 117' ' ' LEU . 6.4 m-70 -118.17 103.31 9.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.492 ' C ' HD12 ' A' ' 103' ' ' ILE . 1.4 pp -120.84 146.8 25.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.131 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.417 ' O ' ' HE1' ' A' ' 91' ' ' MET . 21.0 p -102.65 123.11 45.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.426 ' HB3' ' CD1' ' A' ' 116' ' ' PHE . . . -143.39 175.98 9.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.116 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 17.8 mtt -108.6 155.47 20.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.82 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -103.1 167.36 9.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.815 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.3 -36.67 13.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.16 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -82.24 -56.89 3.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -70.68 -34.93 72.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 62.88 46.12 5.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -142.67 152.74 24.09 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.448 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 92.6 t -75.78 96.53 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.966 0.412 . . . . 0.0 111.093 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.564 ' HG3' ' CE1' ' A' ' 116' ' ' PHE . 1.6 ptpm? -108.24 156.39 19.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 98.1 t -80.73 113.17 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.171 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.587 ' CD2' HD21 ' A' ' 36' ' ' LEU . 91.9 m-85 -98.96 137.88 36.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.96 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.545 HD12 ' CD2' ' A' ' 102' ' ' HIS . 3.3 tp -103.22 157.17 17.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.537 HD12 ' HB ' ' A' ' 101' ' ' ILE . 10.3 mt -137.5 106.82 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.8 t -103.73 115.57 30.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.721 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -143.99 174.36 10.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.076 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 74.0 m -53.86 151.15 6.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 96.5 p -41.04 -44.21 2.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.88 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -81.05 -59.88 2.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.923 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 127' ' ' GLN . 1.1 m-20 -38.96 -59.52 0.96 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.66 HG22 ' HE3' ' A' ' 95' ' ' LYS . 93.9 m -41.76 -37.36 1.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.137 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -76.45 -31.54 54.13 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.529 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 124' ' ' ASP . 15.1 mt-30 -59.3 -68.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.829 0.347 . . . . 0.0 110.939 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.859 HD12 ' N ' ' A' ' 129' ' ' TYR . 2.4 pp -57.06 -40.35 76.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.859 ' N ' HD12 ' A' ' 128' ' ' LEU . 16.7 t80 -59.43 -68.6 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 129' ' ' TYR . . . -37.88 -33.28 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.092 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.46 ' HB1' HD22 ' A' ' 56' ' ' LEU . . . -73.76 -46.95 42.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.1 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.939 HD11 HD21 ' A' ' 71' ' ' LEU . 3.4 mm? -49.28 -71.33 0.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.458 ' C ' ' O ' ' A' ' 132' ' ' LEU . 7.7 t-160 -33.88 -70.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.876 ' HA ' HD12 ' A' ' 137' ' ' LEU . 42.0 t60 -40.32 -60.01 1.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.917 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.711 ' HD2' HD21 ' A' ' 56' ' ' LEU . 9.9 mmp_? -40.22 -34.38 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.829 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.511 ' N ' HD13 ' A' ' 136' ' ' ILE . 2.3 mm -79.92 -51.73 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.099 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.876 HD12 ' HA ' ' A' ' 134' ' ' HIS . 16.4 mt -42.12 -30.17 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -68.81 -39.63 79.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 136' ' ' ILE . 3.3 mt -75.42 -56.39 4.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.91 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.49 ' CG ' ' HA ' ' A' ' 137' ' ' LEU . 5.8 ptp180 -56.91 -12.69 2.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 41.6 t -87.07 -21.84 25.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 39.2 mtp85 -77.84 -45.02 25.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.601 HG23 ' N ' ' A' ' 144' ' ' GLU . 27.8 m -55.83 -52.13 52.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.067 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . 0.601 ' N ' HG23 ' A' ' 143' ' ' VAL . 3.4 pt-20 -118.95 159.9 22.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.9 t -147.84 112.86 5.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -100.3 -162.5 28.4 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 2.82 3.2 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.738 2.292 . . . . 0.0 112.281 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 7.4 p 62.26 43.06 8.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.838 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 6.9 t -42.85 -33.48 0.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.802 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.534 -179.879 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -171.46 131.5 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.341 . . . . 0.0 110.813 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.9 t -138.36 127.89 24.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.81 87.58 0.2 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t -129.14 125.0 36.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.881 0.372 . . . . 0.0 110.857 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -104.16 137.35 42.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.61 113.04 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.62 -40.09 7.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.153 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -174.94 148.56 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.065 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.37 157.79 9.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.858 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.7 tttp -150.28 116.66 5.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 21.9 p -160.27 162.4 33.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.3 mt -125.05 152.43 44.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 15' ' ' GLU . 11.2 mt -91.27 167.18 12.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 14' ' ' LEU . 34.0 mt-10 36.95 38.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.469 ' HG2' ' CG ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -97.38 159.04 15.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.579 ' HA ' HD12 ' A' ' 20' ' ' ILE . 2.1 t -94.93 -44.51 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.469 ' CG ' ' HG2' ' A' ' 16' ' ' LYS . 0.7 OUTLIER -38.07 -37.65 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.458 HG13 ' OE1' ' A' ' 18' ' ' GLU . 2.2 m -78.95 -36.58 18.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.121 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.579 HD12 ' HA ' ' A' ' 17' ' ' VAL . 96.5 mt -57.77 158.68 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.076 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.518 ' N ' HG22 ' A' ' 20' ' ' ILE . 0.8 OUTLIER -40.17 128.97 2.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.122 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.84 73.6 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.482 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 21' ' ' THR . 9.8 mt-10 -56.78 -27.11 59.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 0.0 110.874 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -117.07 -22.05 8.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.86 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -94.49 42.38 1.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.093 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -133.57 151.16 51.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.853 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 m -126.48 153.06 45.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.871 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -116.38 90.09 3.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.416 ' CB ' HD23 ' A' ' 56' ' ' LEU . 92.4 t -51.01 -73.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.113 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 pp -142.6 144.37 32.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.658 ' CG ' HD11 ' A' ' 53' ' ' LEU . 20.6 tt0 -126.58 132.78 51.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.6 133.64 9.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.82 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -60.0 133.65 56.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.665 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 2.0 t -151.43 178.52 9.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -126.13 145.67 50.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.4 HD11 ' CD1' ' A' ' 116' ' ' PHE . 22.4 tp -108.93 129.54 55.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.48 ' HD2' HD23 ' A' ' 117' ' ' LEU . 22.6 m-85 -129.97 139.86 51.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.642 ' CG1' ' CE1' ' A' ' 116' ' ' PHE . 10.7 m -131.34 149.77 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.46 ' CD1' ' C ' ' A' ' 39' ' ' PHE . 5.6 t80 -91.12 122.42 33.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 42' ' ' THR . 23.5 t0 -114.1 102.68 10.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 40' ' ' ASP . 2.8 ptpp? -35.53 -31.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.486 ' N ' ' O ' ' A' ' 40' ' ' ASP . 37.2 m -57.51 -49.01 77.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 40' ' ' ASP . 28.4 t -93.03 -24.87 18.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 68.51 36.47 2.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 t -163.9 -179.9 6.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 73.0 m95 -73.12 133.09 44.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 57.6 t -125.67 143.19 40.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -67.68 110.99 3.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.495 ' CD ' ' O ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -95.98 1.2 52.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 135.89 116.71 1.61 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.53 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -106.29 150.56 25.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.36 . . . . 0.0 110.86 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 164.46 -121.0 0.98 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.519 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.658 HD11 ' CG ' ' A' ' 31' ' ' GLN . 43.7 tp -115.4 148.85 38.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.822 0.344 . . . . 0.0 110.945 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.726 HD12 ' O ' ' A' ' 72' ' ' VAL . 3.6 tp -139.76 134.91 32.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.549 ' NH1' HG11 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -151.18 151.25 31.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.923 HD22 ' HB1' ' A' ' 131' ' ' ALA . 2.2 tp -89.94 109.1 20.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -92.49 149.02 21.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.518 ' CG ' HD21 ' A' ' 67' ' ' LEU . 0.9 OUTLIER -110.33 134.24 52.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.463 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 16.9 ptt? -135.43 148.24 49.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -82.72 135.71 34.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.087 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.451 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -72.46 150.66 43.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.83 -179.759 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.07 -56.5 2.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.146 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -80.87 -6.17 58.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -121.75 -25.07 5.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.451 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 61.39 6.76 8.54 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.512 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.412 HG21 ' HD3' ' A' ' 142' ' ' ARG . 12.9 t -93.59 174.66 7.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.816 0.341 . . . . 0.0 111.165 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.518 HD21 ' CG ' ' A' ' 58' ' ' ASP . 3.3 tm? -68.37 100.03 1.01 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.407 ' HG3' ' CB ' ' A' ' 61' ' ' SER . 5.4 mm-40 -90.95 166.88 12.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.466 ' HB3' HD12 ' A' ' 87' ' ' LEU . 3.9 m -149.38 162.61 39.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -153.2 154.01 33.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.091 HD21 HD21 ' A' ' 132' ' ' LEU . 9.7 mt -96.87 114.0 25.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.936 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.726 ' O ' HD12 ' A' ' 54' ' ' LEU . 2.2 t -112.71 148.99 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.166 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.568 ' SD ' HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -142.46 112.86 7.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 27.8 mtt-85 -100.68 136.42 40.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 26.0 p -78.71 169.62 17.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.132 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -86.0 141.49 29.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.45 -53.19 2.75 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.508 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 t -101.34 128.91 47.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.965 0.412 . . . . 0.0 110.83 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -81.4 41.36 0.61 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.937 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -88.92 142.83 27.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.655 HD13 ' H ' ' A' ' 82' ' ' ILE . 0.1 OUTLIER -97.81 138.22 35.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.655 ' H ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -128.37 -26.54 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.838 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.517 ' O ' HD11 ' A' ' 81' ' ' LEU . 5.7 tp -126.73 112.5 15.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.4 ' C ' ' OD1' ' A' ' 84' ' ' ASN . 34.9 t-20 -144.9 105.51 4.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.3 t -148.5 152.12 36.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.211 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.8 127.62 42.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.903 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.581 HD22 HD11 ' A' ' 136' ' ' ILE . 8.5 mt -58.28 136.82 57.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.579 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 48.3 p90 -120.63 155.46 33.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.792 ' HB1' ' HA ' ' A' ' 140' ' ' ARG . . . -47.87 -47.89 31.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.616 HE22 ' HB3' ' A' ' 89' ' ' ALA . 2.5 mp0 -82.03 29.04 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.515 ' HA ' ' CE2' ' A' ' 88' ' ' TRP . 1.4 tpp -69.04 133.78 48.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.899 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -98.36 109.53 22.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.946 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.8 tt -147.2 112.71 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.14 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -126.1 142.4 51.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.422 ' HE3' HG22 ' A' ' 125' ' ' THR . 11.2 tptm -77.09 96.73 4.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.96 -29.76 65.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.1 t -169.51 162.89 10.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -68.4 -7.89 35.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.835 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -126.54 -5.69 6.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.956 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 59.9 p -138.36 139.36 38.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.66 HD11 HG23 ' A' ' 125' ' ' THR . 3.8 mt -133.75 144.2 36.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.177 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.789 ' CD2' HD12 ' A' ' 117' ' ' LEU . 8.2 m170 -111.47 100.66 9.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.628 HD13 HD13 ' A' ' 71' ' ' LEU . 1.3 pp -116.43 144.69 23.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.434 ' O ' ' HE1' ' A' ' 91' ' ' MET . 44.4 p -99.74 126.73 45.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.187 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.529 ' HB3' ' CD2' ' A' ' 116' ' ' PHE . . . -137.21 160.07 40.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.095 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.588 ' HG3' HG22 ' A' ' 113' ' ' VAL . 24.8 mtt -89.41 156.22 18.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -89.62 156.95 18.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 80.6 p -78.28 -45.28 23.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.06 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -98.75 -45.41 6.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.74 -18.78 62.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.823 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 44.07 48.71 7.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -134.22 145.58 17.64 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.588 HG22 ' HG3' ' A' ' 106' ' ' MET . 61.0 t -81.95 111.79 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.893 0.378 . . . . 0.0 111.136 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.526 ' HG3' ' CE2' ' A' ' 116' ' ' PHE . 1.9 ptpt -117.94 167.24 11.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.905 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 54.5 t -85.67 105.8 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.172 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.642 ' CE1' ' CG1' ' A' ' 38' ' ' VAL . 64.4 m-85 -96.22 145.19 25.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.789 HD12 ' CD2' ' A' ' 102' ' ' HIS . 3.5 tp -108.35 156.91 18.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.851 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.504 HD12 ' HB ' ' A' ' 101' ' ' ILE . 46.6 mt -131.83 96.48 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.061 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.2 t -95.91 106.22 18.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.665 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -142.36 172.52 12.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.121 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 122' ' ' SER . 34.8 t -63.34 142.41 58.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 121' ' ' SER . 11.0 p -35.88 -46.07 0.44 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.818 -179.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.21 -53.8 26.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -51.88 -53.02 45.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.882 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.66 HG23 HD11 ' A' ' 101' ' ' ILE . 79.2 m -42.91 -60.83 1.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -43.13 -49.55 6.46 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -57.32 -68.49 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.36 . . . . 0.0 110.904 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.46 ' C ' HD13 ' A' ' 128' ' ' LEU . 2.9 tm? -44.35 -50.54 9.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.433 ' O ' ' N ' ' A' ' 131' ' ' ALA . 55.1 t80 -60.09 -71.68 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -40.38 -26.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.135 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.923 ' HB1' HD22 ' A' ' 56' ' ' LEU . . . -75.31 -64.02 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 1.091 HD21 HD21 ' A' ' 71' ' ' LEU . 5.5 mp -51.93 -58.82 5.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.487 ' CE1' HD11 ' A' ' 137' ' ' LEU . 22.3 t-80 -33.34 -64.84 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.852 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.595 ' CD2' ' NH2' ' A' ' 135' ' ' ARG . 3.1 t60 -49.7 -60.46 2.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.892 ' HD3' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -35.97 -31.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.898 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.581 HD11 HD22 ' A' ' 87' ' ' LEU . 3.1 mm -77.78 -53.76 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.487 HD11 ' CE1' ' A' ' 133' ' ' HIS . 22.1 mt -44.0 -26.86 0.32 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -74.25 -42.21 60.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.097 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.459 ' N ' HD23 ' A' ' 139' ' ' LEU . 3.7 mt -74.5 -58.92 2.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.792 ' HA ' ' HB1' ' A' ' 89' ' ' ALA . 6.0 ptm180 -47.79 -19.77 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 2.9 m -83.08 -40.32 20.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.873 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 143' ' ' VAL . 6.8 mtm105 -56.14 -53.98 50.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 140' ' ' ARG . 8.3 m -33.98 -40.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -103.87 51.73 0.78 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 142' ' ' ARG . 31.2 m 57.78 37.9 27.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.854 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -61.2 -179.46 2.88 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.535 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.66 179.53 3.58 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.726 2.284 . . . . 0.0 112.413 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 58.0 p -166.96 122.22 1.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 97.3 p -169.38 147.29 3.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.444 179.942 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.3 p -144.19 173.72 11.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.834 0.35 . . . . 0.0 110.83 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.3 m -115.64 131.57 56.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.15 132.9 0.1 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.535 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t -167.16 143.46 4.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.933 0.397 . . . . 0.0 110.85 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.8 p -39.15 105.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.94 129.77 1.11 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.463 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 68.1 p -110.42 142.56 41.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.765 0.317 . . . . 0.0 111.163 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -113.05 109.57 19.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.2 40.62 1.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -118.53 129.64 55.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 25.8 p -162.85 132.2 4.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.7 mt -118.2 175.31 5.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.944 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.5 mp -86.28 174.27 9.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 45.6 39.61 5.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -88.99 158.54 17.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.477 ' O ' ' N ' ' A' ' 19' ' ' VAL . 2.0 t -90.81 -43.92 14.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 17' ' ' VAL . 16.4 pt-20 -34.74 -33.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.505 HG23 ' N ' ' A' ' 20' ' ' ILE . 27.5 m -86.34 -45.84 16.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.681 HG22 ' H ' ' A' ' 22' ' ' GLY . 78.9 mt -52.26 138.07 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.9 m -40.57 -24.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.681 ' H ' HG22 ' A' ' 20' ' ' ILE . . . 91.01 43.05 4.84 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.506 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -49.89 -50.39 46.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.89 0.376 . . . . 0.0 110.918 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.497 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 13.5 pt-20 -125.88 -42.79 1.88 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.497 ' N ' ' HG3' ' A' ' 24' ' ' GLU . . . 43.19 36.42 1.0 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -156.28 154.76 31.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.0 m -134.45 97.41 3.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.468 ' ND2' ' HB2' ' A' ' 55' ' ' ARG . 17.5 t-20 -75.63 128.91 36.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.0 m -103.6 -34.38 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.434 ' C ' HD12 ' A' ' 30' ' ' LEU . 3.1 pp -151.81 137.65 18.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.9 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.686 ' HG2' HD11 ' A' ' 53' ' ' LEU . 14.2 tt0 -138.29 123.59 19.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.17 141.44 26.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -63.31 129.37 39.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.939 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.967 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.5 t -149.8 174.33 12.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.602 ' HD2' ' CZ ' ' A' ' 37' ' ' PHE . 15.3 ttmt -116.76 151.83 35.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.0 tp -123.9 135.2 53.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.602 ' CZ ' ' HD2' ' A' ' 35' ' ' LYS . 73.7 m-85 -124.04 146.82 48.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.605 ' O ' HG13 ' A' ' 38' ' ' VAL . 5.5 p -128.51 117.11 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.539 ' CZ ' ' HA ' ' A' ' 44' ' ' GLN . 1.7 t80 -79.46 124.97 28.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 42' ' ' THR . 27.8 t0 -105.25 105.24 15.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.9 ptpp? -39.06 -29.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 40' ' ' ASP . 58.4 m -58.72 -48.68 80.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.203 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.8 t -90.81 -24.51 20.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.83 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.539 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 1.4 mm-40 65.84 37.02 5.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.9 t -153.32 171.73 18.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.55 ' CZ2' HD13 ' A' ' 117' ' ' LEU . 72.4 m95 -78.32 120.6 23.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 69.3 t -121.3 142.59 36.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 49' ' ' ARG . 4.1 tp10 -60.46 147.99 39.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.821 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.403 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -132.42 -45.59 0.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.896 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -177.41 129.66 1.49 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.508 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.12 139.72 52.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.88 0.371 . . . . 0.0 110.935 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -178.61 -100.83 0.14 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.526 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.686 HD11 ' HG2' ' A' ' 31' ' ' GLN . 19.8 tp -138.94 121.21 15.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.837 0.351 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.804 HD12 ' O ' ' A' ' 72' ' ' VAL . 8.9 tp -96.97 142.19 29.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.66 ' O ' HG22 ' A' ' 72' ' ' VAL . 10.2 ptt85 -150.86 148.25 28.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.437 HD13 ' HD3' ' A' ' 135' ' ' ARG . 5.5 tp -106.36 112.83 26.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.944 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -98.75 142.75 29.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -107.01 129.96 54.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.506 ' O ' ' N ' ' A' ' 68' ' ' GLN . 20.9 ptt? -132.84 153.8 50.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.6 151.6 30.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.415 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.6 OUTLIER -88.58 154.64 20.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.823 -179.762 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.11 -51.6 3.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.143 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.86 -6.82 59.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.453 ' HB3' ' NE ' ' A' ' 142' ' ' ARG . 5.5 m-20 -122.53 -18.78 6.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.415 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 53.9 14.63 4.2 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.4 t -102.49 173.89 6.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.806 0.336 . . . . 0.0 111.141 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 67' ' ' LEU . 2.2 tm? -67.18 100.49 0.79 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.959 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.506 ' N ' ' O ' ' A' ' 59' ' ' MET . 5.4 mm-40 -88.5 168.92 12.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.7 m -147.41 167.34 24.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -160.94 162.75 32.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.951 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.457 HD21 HH22 ' A' ' 135' ' ' ARG . 11.3 mt -95.35 157.07 16.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.938 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.804 ' O ' HD12 ' A' ' 54' ' ' LEU . 0.9 OUTLIER -155.03 153.96 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 179.861 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.671 ' O ' HD13 ' A' ' 82' ' ' ILE . 8.1 tpt -155.15 107.29 2.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.872 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 58.7 mtm180 -100.31 125.02 46.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.564 HG23 HD12 ' A' ' 82' ' ' ILE . 9.1 p -69.71 145.59 52.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.089 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 77' ' ' GLY . 9.0 pt20 -69.25 -36.83 77.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.961 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 76' ' ' GLN . . . -37.67 -74.67 0.1 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.465 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 79' ' ' LEU . 7.0 t -132.44 48.49 2.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.864 0.364 . . . . 0.0 110.847 -179.729 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 78' ' ' SER . 4.2 mm? 35.14 47.5 0.29 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -94.95 157.65 15.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.758 HD13 ' N ' ' A' ' 82' ' ' ILE . 0.3 OUTLIER -102.02 141.37 34.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.758 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -134.88 -30.14 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.779 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.602 ' O ' HD11 ' A' ' 81' ' ' LEU . 7.6 tp -120.04 125.69 48.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -158.42 105.07 1.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.472 HG21 ' HB1' ' A' ' 105' ' ' ALA . 6.9 t -140.9 154.99 46.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.472 ' HG3' ' CE ' ' A' ' 59' ' ' MET . 33.8 ttmt -98.35 124.12 42.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.925 HD21 ' NH2' ' A' ' 135' ' ' ARG . 8.9 mt -57.0 143.02 39.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.577 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 48.2 p90 -125.81 157.05 38.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.24 -46.59 54.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.577 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 38.8 mm-40 -82.51 31.42 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.864 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.651 ' CE ' HD23 ' A' ' 87' ' ' LEU . 1.0 OUTLIER -69.6 141.18 53.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.827 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -110.0 125.45 52.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.845 HD12 HD23 ' A' ' 132' ' ' LEU . 1.1 tt -152.02 130.55 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -139.08 138.43 37.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.1 tptm -88.43 98.2 11.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.65 -42.15 87.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.1 t -152.66 175.91 12.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -77.89 1.41 20.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -126.45 -25.91 3.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 85.5 p -112.94 151.62 30.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.82 ' HB ' HD12 ' A' ' 118' ' ' ILE . 9.2 mt -140.51 136.69 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.077 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.61 ' CD2' HD12 ' A' ' 117' ' ' LEU . 11.5 m170 -110.1 117.97 35.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.493 ' O ' HG23 ' A' ' 115' ' ' VAL . 3.2 pt -136.55 153.51 30.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.09 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 14.8 p -102.8 119.62 39.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.472 ' HB1' HG21 ' A' ' 85' ' ' THR . . . -138.2 161.29 37.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.798 ' HG3' HG22 ' A' ' 113' ' ' VAL . 24.5 mtt -86.24 179.22 6.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.489 ' OD1' ' CD ' ' A' ' 114' ' ' LYS . 0.8 OUTLIER -117.7 166.83 11.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 72.3 p -91.86 -41.71 10.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -101.26 -45.23 5.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -64.17 -35.97 82.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.826 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 63.11 41.19 8.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.998 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -135.29 148.99 19.82 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.539 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.798 HG22 ' HG3' ' A' ' 106' ' ' MET . 50.7 t -83.25 94.07 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.93 0.395 . . . . 0.0 111.136 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.583 ' HG3' ' CE1' ' A' ' 116' ' ' PHE . 1.4 ptpm? -110.74 154.18 24.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 103' ' ' ILE . 7.3 p -93.25 118.39 38.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.583 ' CE1' ' HG3' ' A' ' 114' ' ' LYS . 82.9 m-85 -98.2 177.8 5.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.61 HD12 ' CD2' ' A' ' 102' ' ' HIS . 3.9 tp -123.83 157.17 34.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.964 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.82 HD12 ' HB ' ' A' ' 101' ' ' ILE . 4.9 mt -134.25 98.17 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 23.1 t -98.14 123.66 42.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.967 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -157.61 177.76 11.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.152 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 48.1 m -63.78 147.07 52.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.914 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 52.3 p -40.54 -46.47 2.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 46.2 tptt -67.45 -68.97 0.34 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -42.94 -66.84 0.33 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.845 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.721 ' OG1' ' HB3' ' A' ' 120' ' ' ALA . 97.7 m -40.05 -41.36 1.22 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.215 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -61.25 -43.46 99.35 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.458 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -54.81 -57.92 9.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.836 0.351 . . . . 0.0 110.923 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.718 ' CD2' HG21 ' A' ' 118' ' ' ILE . 30.9 tp -49.71 -67.66 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -39.61 -67.28 0.23 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -38.26 -35.51 0.17 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.03 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 128' ' ' LEU . . . -76.09 -47.12 25.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.845 HD23 HD12 ' A' ' 93' ' ' ILE . 10.6 mp -44.65 -69.13 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.469 ' C ' ' O ' ' A' ' 132' ' ' LEU . 8.0 t-160 -32.97 -60.91 0.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.818 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.471 ' HA ' HD12 ' A' ' 137' ' ' LEU . 29.5 t60 -44.89 -63.66 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.925 ' NH2' HD21 ' A' ' 87' ' ' LEU . 50.6 mtm180 -36.11 -40.91 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.922 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.538 ' N ' HD13 ' A' ' 136' ' ' ILE . 1.8 mm -72.28 -54.82 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.207 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 134' ' ' HIS . 70.9 mt -36.16 -45.1 0.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -57.99 -42.64 85.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 136' ' ' ILE . 1.7 mt -72.44 -51.51 19.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 140' ' ' ARG . 1.1 mtp-105 -60.6 -32.11 71.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 23.2 t -62.53 -20.86 65.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . 0.453 ' NE ' ' HB3' ' A' ' 64' ' ' ASP . 8.1 mtp-105 -77.16 -40.7 44.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 16.5 m -81.66 -39.5 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.174 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -144.93 113.66 6.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 74.8 m -100.4 92.55 5.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -97.58 -168.0 32.49 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 148' ' ' SER . 54.5 Cg_endo -69.79 -1.91 9.29 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.618 2.212 . . . . 0.0 112.363 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 147' ' ' PRO . 16.8 m -34.47 132.61 0.28 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 41.1 t -73.9 130.5 40.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.834 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.528 179.921 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -110.53 112.04 23.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.8 0.333 . . . . 0.0 110.852 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.2 p -108.85 111.85 23.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.902 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.09 -51.68 0.2 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.529 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 p -56.78 150.47 16.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.878 0.371 . . . . 0.0 110.903 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.5 t -114.87 154.66 28.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.847 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.79 -143.71 15.21 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.444 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.5 t -174.51 156.88 2.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.753 0.311 . . . . 0.0 111.086 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.56 -175.58 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.04 112.49 10.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.12 162.25 28.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 33.1 m -45.81 115.71 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.522 HD11 ' HD2' ' A' ' 16' ' ' LYS . 0.3 OUTLIER -103.53 174.72 5.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 16' ' ' LYS . 1.2 tp -83.8 -56.89 3.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -62.39 75.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.694 ' O ' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -131.58 151.12 51.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.927 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.451 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 17.0 m -66.18 -34.95 73.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.154 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -46.39 -36.51 6.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.799 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.694 HG22 ' O ' ' A' ' 16' ' ' LYS . 23.7 m -87.62 -32.47 6.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.123 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 42.2 mt -64.72 144.23 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.0 m -60.42 152.13 26.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.116 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -48.33 -31.17 8.64 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.481 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 41.53 30.9 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.765 0.317 . . . . 0.0 110.867 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -90.86 -27.36 18.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -93.94 41.69 1.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.106 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -77.8 176.61 8.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.1 m -98.04 144.78 27.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -138.53 154.79 48.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.945 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.568 HG21 HD23 ' A' ' 56' ' ' LEU . 2.9 m -120.93 -39.65 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.456 ' O ' HD12 ' A' ' 30' ' ' LEU . 3.4 pp -152.75 131.56 12.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.85 ' CG ' HD11 ' A' ' 53' ' ' LEU . 22.0 tt0 -128.36 139.32 52.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.542 ' CE ' HD23 ' A' ' 128' ' ' LEU . 1.0 OUTLIER -161.32 149.26 15.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.855 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -77.69 118.86 20.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.969 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.8 t -139.65 174.91 10.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 27.5 mtpt -113.87 153.44 29.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.6 tp -123.13 117.89 26.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -112.55 123.58 50.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 38' ' ' VAL . 7.0 p -105.37 129.13 58.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.546 ' CZ ' ' HA ' ' A' ' 44' ' ' GLN . 18.5 t80 -79.37 111.3 15.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 42' ' ' THR . 31.6 t0 -95.78 106.42 18.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.6 tttt -41.9 -23.93 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 40' ' ' ASP . 36.5 m -61.76 -47.05 86.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.111 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.4 t -96.37 -23.55 16.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.546 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 1.7 mm-40 69.67 31.39 3.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.982 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.3 t -153.21 -177.22 6.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.559 ' CZ2' HD13 ' A' ' 117' ' ' LEU . 78.2 m95 -75.67 123.48 25.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 56.5 t -118.94 125.21 74.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.131 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -49.66 108.37 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.66 -32.9 13.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 163.64 132.73 1.38 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.541 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 29.8 ptt180 -121.31 137.01 54.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.864 0.364 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.415 ' N ' ' CE ' ' A' ' 73' ' ' MET . . . -176.28 -122.95 0.74 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.85 HD11 ' CG ' ' A' ' 31' ' ' GLN . 33.0 tp -114.5 126.51 55.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.827 0.346 . . . . 0.0 110.925 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.704 ' CD2' HD22 ' A' ' 128' ' ' LEU . 7.0 tp -112.12 134.94 53.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.966 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.7 ptt-85 -151.27 150.26 30.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.843 HD22 ' HB1' ' A' ' 131' ' ' ALA . 5.4 tp -97.89 108.05 20.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.2 p-10 -92.22 145.72 24.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -101.51 138.0 39.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.832 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.5 ' O ' ' N ' ' A' ' 68' ' ' GLN . 24.2 ptt? -151.4 142.78 23.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.24 166.9 20.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.075 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.522 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 1.1 t -87.67 166.73 14.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.815 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.3 t -99.93 -45.59 5.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.129 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -95.18 -11.31 28.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 66' ' ' THR . 25.3 t0 -123.23 -8.19 8.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.522 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 44.03 20.22 0.15 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.502 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 61' ' ' SER . 0.7 OUTLIER -94.12 174.95 6.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 111.088 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.411 HD22 ' HA ' ' A' ' 67' ' ' LEU . 1.7 tm? -65.74 99.2 0.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 59' ' ' MET . 5.9 mm100 -99.54 171.31 8.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 72.9 m -148.45 158.97 44.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.448 ' HB3' ' CE ' ' A' ' 59' ' ' MET . 1.8 ptp180 -146.6 155.97 42.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.685 HD21 HD21 ' A' ' 132' ' ' LEU . 12.0 mt -96.21 114.61 26.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.558 HG13 HD21 ' A' ' 81' ' ' LEU . 2.1 t -114.46 147.66 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.739 ' SD ' HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -145.28 115.15 7.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 29.4 mtt180 -105.17 131.23 52.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.67 HG23 HD12 ' A' ' 82' ' ' ILE . 1.4 p -73.07 160.61 31.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.68 30.33 1.37 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.936 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -108.36 -78.02 1.05 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.558 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 39.7 p -128.51 37.76 4.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.861 0.363 . . . . 0.0 110.838 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.8 mt 53.38 42.91 31.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -93.29 140.67 29.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.565 HD13 ' N ' ' A' ' 82' ' ' ILE . 0.1 OUTLIER -90.59 132.43 35.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.739 HD11 ' SD ' ' A' ' 73' ' ' MET . 0.2 OUTLIER -121.65 -24.13 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.061 179.878 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.571 HD23 ' HB2' ' A' ' 73' ' ' MET . 7.2 tp -129.18 107.02 9.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.987 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -135.06 98.65 4.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.423 HG21 ' HB1' ' A' ' 105' ' ' ALA . 7.6 t -139.38 152.96 47.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.458 ' HD3' ' NE2' ' A' ' 68' ' ' GLN . 19.1 ttmt -100.42 123.02 44.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.939 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.776 HD23 ' CE ' ' A' ' 91' ' ' MET . 8.2 mt -56.36 149.53 16.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.573 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 48.1 p90 -134.9 153.7 51.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -45.34 -48.96 13.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.074 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.573 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 3.4 mp0 -82.22 29.65 0.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.959 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.776 ' CE ' HD23 ' A' ' 87' ' ' LEU . 3.2 tpp -70.69 135.08 48.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -95.4 115.84 27.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.0 tt -150.95 116.39 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.088 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -145.91 117.45 8.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.783 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.559 ' CD ' ' CD2' ' A' ' 129' ' ' TYR . 3.9 tttm -58.34 143.44 44.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.823 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -118.6 -18.24 9.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.151 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 6.9 t -162.18 150.8 15.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.446 ' CD ' ' HB2' ' A' ' 122' ' ' SER . 3.2 tt0 -55.26 -18.32 6.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -124.88 26.84 6.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.86 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.435 ' C ' HG13 ' A' ' 101' ' ' ILE . 0.8 OUTLIER -159.89 152.52 21.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.557 HD11 HG23 ' A' ' 125' ' ' THR . 7.0 mt -144.08 151.05 16.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.136 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.594 ' CD2' HD12 ' A' ' 117' ' ' LEU . 8.0 m170 -115.49 101.47 8.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.482 HD13 HD13 ' A' ' 71' ' ' LEU . 1.1 pp -123.66 148.06 27.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 64.8 p -102.95 131.15 50.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.165 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.423 ' HB1' HG21 ' A' ' 85' ' ' THR . . . -138.37 168.74 19.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.13 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 28.4 mtt -97.69 144.58 27.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -77.12 158.87 30.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 80.7 p -79.83 -44.28 20.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -97.07 -47.63 5.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -67.13 -18.48 65.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 46.87 32.09 1.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -121.72 159.51 16.29 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.426 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 21.6 t -89.31 137.09 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.92 0.391 . . . . 0.0 111.17 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -143.91 174.43 10.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 41.9 t -93.75 104.93 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -96.84 150.95 20.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.594 HD12 ' CD2' ' A' ' 102' ' ' HIS . 4.9 tp -117.95 154.79 31.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.646 HG22 ' SG ' ' A' ' 34' ' ' CYS . 6.5 mt -133.42 101.7 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.6 t -90.52 102.46 15.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.822 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.969 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -131.9 160.33 36.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.118 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.9 m -48.91 158.89 0.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.446 ' HB2' ' CD ' ' A' ' 98' ' ' GLU . 34.3 p -46.12 -39.79 9.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -83.63 -59.49 2.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.421 ' OD1' ' CB ' ' A' ' 32' ' ' MET . 2.6 m-20 -39.71 -45.63 1.74 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.557 HG23 HD11 ' A' ' 101' ' ' ILE . 90.8 m -57.52 -53.8 54.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -58.98 -26.92 61.51 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.478 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -67.46 -67.56 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.825 0.345 . . . . 0.0 110.944 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.803 ' C ' HD12 ' A' ' 128' ' ' LEU . 0.4 OUTLIER -59.54 -44.48 93.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.662 ' N ' HD12 ' A' ' 128' ' ' LEU . 11.1 t80 -55.23 -46.8 75.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.72 -28.73 69.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.118 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.843 ' HB1' HD22 ' A' ' 56' ' ' LEU . . . -74.5 -65.63 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.087 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.685 HD21 HD21 ' A' ' 71' ' ' LEU . 5.6 mp -38.41 -66.0 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.452 ' C ' ' O ' ' A' ' 132' ' ' LEU . 7.0 t-80 -33.95 -58.4 0.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.517 ' CD2' HH21 ' A' ' 135' ' ' ARG . 2.7 t60 -52.68 -54.98 25.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.746 ' HD3' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -42.64 -22.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 -179.89 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.512 HD12 ' O ' ' A' ' 132' ' ' LEU . 3.7 mp -95.26 -49.4 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.458 ' HA ' ' CG ' ' A' ' 140' ' ' ARG . 25.7 mt -47.4 -29.32 2.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -73.7 -39.78 64.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.026 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.458 ' N ' HD23 ' A' ' 139' ' ' LEU . 1.3 mt -73.44 -54.4 8.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.458 ' CG ' ' HA ' ' A' ' 137' ' ' LEU . 5.3 ptm180 -54.54 -17.95 3.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.1 m -77.84 -31.48 51.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 16.5 mtt-85 -76.66 -56.76 4.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.524 HG23 ' N ' ' A' ' 144' ' ' GLU . 30.5 m -50.9 -47.72 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.062 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . 0.524 ' N ' HG23 ' A' ' 143' ' ' VAL . 45.2 mt-10 -147.09 107.53 4.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 68.2 m -61.18 98.15 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.852 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -93.9 176.9 36.61 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.489 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -45.9 1.42 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.636 2.224 . . . . 0.0 112.326 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 16.6 m -46.99 115.45 1.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.805 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 51.4 m -145.37 139.17 26.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.429 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 t -88.19 109.36 19.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.863 0.363 . . . . 0.0 110.85 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.6 m -108.52 84.97 2.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.2 -145.54 16.8 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.48 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -46.23 130.4 10.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.358 . . . . 0.0 110.881 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.9 p -160.37 146.37 15.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.62 122.13 5.57 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.444 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.1 t -82.05 151.12 27.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.69 0.281 . . . . 0.0 111.245 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -124.29 91.42 3.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.084 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.19 159.24 20.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.6 mttt 58.05 44.6 19.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.8 p -146.73 133.55 20.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.9 mp -62.23 152.89 32.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.956 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.67 -59.43 2.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.954 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -69.95 70.81 0.36 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.464 ' O ' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -124.97 149.34 47.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.901 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.583 ' HA ' HD12 ' A' ' 20' ' ' ILE . 3.9 m -69.48 -30.6 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -48.06 -37.28 14.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 16' ' ' LYS . 14.2 m -88.77 -27.46 5.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.134 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.583 HD12 ' HA ' ' A' ' 17' ' ' VAL . 83.2 mt -68.44 158.61 5.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.18 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.513 ' N ' HG22 ' A' ' 20' ' ' ILE . 0.8 OUTLIER -43.45 160.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -79.47 52.47 4.12 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.547 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -43.33 -45.26 5.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.826 0.346 . . . . 0.0 110.911 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -90.08 -30.2 17.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.877 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.54 35.56 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.046 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -80.35 161.39 25.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.7 t -124.75 146.24 49.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -116.25 114.77 24.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.567 HG11 HD23 ' A' ' 56' ' ' LEU . 3.9 p -91.0 -38.1 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.126 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.45 ' C ' HD12 ' A' ' 30' ' ' LEU . 1.3 pp -160.75 132.94 6.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 1.083 ' CD ' HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -134.2 148.57 50.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.7 ptm -166.76 145.94 5.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -69.28 123.88 22.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.61 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 2.3 t -142.64 173.67 11.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -115.01 159.05 21.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.636 HD23 ' CG ' ' A' ' 49' ' ' ARG . 14.2 tp -128.43 128.96 45.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.468 ' HD2' HD23 ' A' ' 117' ' ' LEU . 17.8 m-85 -125.9 124.25 40.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.463 ' CG2' ' HD3' ' A' ' 114' ' ' LYS . 7.3 p -109.25 139.45 32.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.161 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -89.48 137.95 31.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 42' ' ' THR . 5.5 t70 -127.03 102.11 6.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.808 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 40' ' ' ASP . 1.1 ttmm -38.07 -27.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 40' ' ' ASP . 31.9 m -61.3 -47.68 84.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.0 t -94.65 -23.35 17.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 66.4 36.83 4.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.0 t -152.6 179.05 8.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 74.5 m95 -82.17 98.33 8.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.456 ' O ' HG12 ' A' ' 38' ' ' VAL . 70.5 t -87.25 118.42 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -49.9 121.12 4.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.636 ' CG ' HD23 ' A' ' 36' ' ' LEU . 14.2 tpp180 -93.63 -45.26 7.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 166.73 119.29 0.47 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.471 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.8 145.06 34.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 0.0 110.883 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.529 ' N ' ' CE ' ' A' ' 73' ' ' MET . . . -179.39 -118.38 0.58 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.503 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.083 HD11 ' CD ' ' A' ' 31' ' ' GLN . 51.9 tp -114.2 115.9 28.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 0.0 110.903 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.526 HD12 ' O ' ' A' ' 72' ' ' VAL . 5.4 tp -105.26 133.96 49.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.483 ' HB3' ' CG ' ' A' ' 31' ' ' GLN . 2.1 ptm180 -151.25 152.75 33.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.567 HD23 HG11 ' A' ' 29' ' ' VAL . 3.0 tp -95.68 112.82 24.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -95.65 129.55 42.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.26 107.01 19.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.492 ' O ' ' N ' ' A' ' 68' ' ' GLN . 20.7 ptt? -110.11 156.01 21.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -81.43 157.14 25.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.088 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.425 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 1.0 OUTLIER -91.01 152.57 20.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.888 -179.791 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.29 -47.65 5.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -88.02 -8.06 56.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.909 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -122.39 -18.92 6.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.425 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 57.12 10.47 5.18 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.495 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.2 t -99.6 174.63 6.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.754 0.311 . . . . 0.0 111.189 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -66.33 104.24 1.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.492 ' N ' ' O ' ' A' ' 59' ' ' MET . 5.4 mm-40 -95.71 167.16 11.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.596 ' HB2' HD12 ' A' ' 87' ' ' LEU . 67.1 m -131.27 163.42 27.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -152.23 158.45 42.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.442 HD21 HH22 ' A' ' 135' ' ' ARG . 9.4 mt -106.09 112.46 25.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.526 ' O ' HD12 ' A' ' 54' ' ' LEU . 2.2 t -117.22 146.87 21.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.083 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.529 ' CE ' ' N ' ' A' ' 52' ' ' GLY . 10.6 tpt -153.15 108.95 3.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -103.09 132.32 49.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.479 HG23 HD12 ' A' ' 82' ' ' ILE . 21.1 p -72.26 149.92 44.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.62 -35.27 72.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.945 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -37.86 -91.38 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.469 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 79' ' ' LEU . 15.2 m -113.69 42.95 1.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 0.0 110.877 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 78' ' ' SER . 14.1 mt 36.96 50.22 0.86 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 41.7 ttt85 -101.09 148.27 25.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.888 HD13 ' N ' ' A' ' 82' ' ' ILE . 0.6 OUTLIER -91.79 141.03 29.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.888 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -134.96 -31.12 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.914 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.686 ' O ' HD11 ' A' ' 81' ' ' LEU . 8.8 tp -116.89 135.36 53.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.444 ' OD1' ' C ' ' A' ' 84' ' ' ASN . 8.9 t-20 -169.29 105.1 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 4.3 t -146.94 144.15 29.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.184 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.427 ' CD ' ' O ' ' A' ' 87' ' ' LEU . 0.6 OUTLIER -86.4 128.47 34.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.989 HD11 ' CZ ' ' A' ' 135' ' ' ARG . 20.5 mt -57.68 148.28 25.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.581 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 47.7 p90 -131.8 152.41 50.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.413 ' C ' ' H ' ' A' ' 91' ' ' MET . . . -46.21 -49.17 17.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.103 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.581 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 16.6 mp0 -78.72 26.91 0.23 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.56 ' CE ' HD23 ' A' ' 87' ' ' LEU . 0.7 OUTLIER -66.55 140.59 57.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -110.76 124.78 52.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.859 HD12 HD23 ' A' ' 132' ' ' LEU . 1.4 tt -154.64 127.72 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.043 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -136.35 141.05 43.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.537 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 12.3 tptm -83.35 101.21 11.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.46 ' HB2' ' CD2' ' A' ' 102' ' ' HIS . . . -65.93 -50.54 64.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.5 t -146.64 -178.68 6.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -78.71 2.96 17.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.852 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.6 mttt -132.7 -33.13 1.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.9 m -105.83 152.55 23.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.665 ' CD1' HD11 ' A' ' 128' ' ' LEU . 43.2 mt -143.81 146.03 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.535 ' CD2' HD12 ' A' ' 117' ' ' LEU . 12.2 m170 -115.83 114.99 25.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.604 HG22 HG13 ' A' ' 93' ' ' ILE . 1.7 pp -130.52 149.38 33.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 13.7 p -96.82 121.48 38.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -139.48 154.62 47.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.835 ' HG3' HG22 ' A' ' 113' ' ' VAL . 6.8 mtt -83.99 170.33 14.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -109.57 166.0 11.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 50.5 p -89.81 -39.56 13.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.084 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -100.09 -54.46 2.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 111' ' ' GLN . 4.6 t70 -64.86 -8.79 16.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.8 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 110' ' ' ASP . 16.1 mt-30 35.63 46.3 0.3 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -130.62 155.13 21.01 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.515 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.835 HG22 ' HG3' ' A' ' 106' ' ' MET . 54.7 t -90.52 98.73 8.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.844 0.354 . . . . 0.0 111.153 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.577 ' HG3' ' CE1' ' A' ' 116' ' ' PHE . 9.4 ptpt -116.66 148.11 41.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.961 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.431 ' O ' HG13 ' A' ' 115' ' ' VAL . 4.4 p -88.03 117.12 31.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.577 ' CE1' ' HG3' ' A' ' 114' ' ' LYS . 87.4 m-85 -96.45 177.52 5.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.535 HD12 ' CD2' ' A' ' 102' ' ' HIS . 3.7 tp -122.6 156.65 33.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.928 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.626 HG21 HD22 ' A' ' 128' ' ' LEU . 10.2 mt -134.76 102.22 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 45.4 t -99.58 113.48 25.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.61 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -143.47 172.65 12.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.058 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 122' ' ' SER . 3.4 m -60.68 147.28 42.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 121' ' ' SER . 13.3 p -33.8 -54.33 0.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.2 tmtm? -65.47 -62.93 1.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -40.19 -60.93 0.96 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.544 HG23 HD11 ' A' ' 101' ' ' ILE . 83.9 m -44.99 -37.25 3.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.076 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -69.87 -36.87 74.56 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.452 ' NE2' ' HA ' ' A' ' 127' ' ' GLN . 3.2 mm-40 -62.44 -60.7 3.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.851 0.358 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.763 ' O ' HD13 ' A' ' 132' ' ' LEU . 1.4 pp -54.36 -42.02 69.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.922 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.537 ' CZ ' ' HB2' ' A' ' 95' ' ' LYS . 25.0 t80 -61.08 -66.54 0.52 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -40.2 -33.66 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.129 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -75.66 -54.05 7.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.121 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.859 HD23 HD12 ' A' ' 93' ' ' ILE . 9.0 mp -39.7 -68.97 0.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.437 ' C ' ' O ' ' A' ' 132' ' ' LEU . 10.0 t-160 -35.69 -66.12 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 135' ' ' ARG . 16.2 t60 -38.5 -63.54 0.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.989 ' CZ ' HD11 ' A' ' 87' ' ' LEU . 50.8 mtm180 -36.94 -44.75 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.502 ' N ' HD13 ' A' ' 136' ' ' ILE . 2.8 mm -62.77 -51.23 74.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.433 ' HA ' ' CG ' ' A' ' 140' ' ' ARG . 20.1 mt -47.69 -39.36 17.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.951 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.63 -27.89 69.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.038 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.459 HD11 ' CB ' ' A' ' 87' ' ' LEU . 5.1 mt -82.59 -55.57 4.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.848 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 140' ' ' ARG . 0.0 OUTLIER -60.37 -15.3 24.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.847 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 42.3 t -82.23 -18.03 43.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . 0.404 ' CB ' HH11 ' A' ' 142' ' ' ARG . 4.2 mtm105 -82.08 -52.35 7.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.453 HG23 ' N ' ' A' ' 144' ' ' GLU . 15.6 m -55.25 -46.5 78.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . 0.453 ' N ' HG23 ' A' ' 143' ' ' VAL . 16.1 pt-20 -79.55 -11.74 59.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 23.2 t -44.99 -44.8 10.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -64.84 154.0 49.59 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.555 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 148' ' ' SER . 53.5 Cg_endo -69.76 1.79 4.11 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.644 2.229 . . . . 0.0 112.358 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 147' ' ' PRO . 22.7 t -34.84 108.63 0.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 17.4 t -165.95 150.12 8.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.798 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.465 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.451 -0.259 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t -56.36 135.7 53.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.899 0.38 . . . . 0.0 110.824 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.1 m -122.64 -46.18 2.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -54.48 113.45 3.44 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.481 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.4 m -100.62 130.83 46.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.852 0.358 . . . . 0.0 110.888 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 t -140.05 162.83 34.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.23 60.62 0.42 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.489 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.1 p -60.11 -53.05 62.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.35 . . . . 0.0 111.114 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -172.48 156.98 3.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.109 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.57 156.97 34.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt -112.23 163.99 13.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.5 m -65.2 80.97 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.5 mt -93.15 156.21 16.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.933 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.1 mp -96.46 -33.67 11.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -82.16 41.6 0.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.492 ' O ' HG22 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -90.92 148.58 22.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.589 ' HA ' HD12 ' A' ' 20' ' ' ILE . 12.3 m -73.1 -30.6 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.172 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -50.63 -32.43 18.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 16' ' ' LYS . 4.7 m -88.2 -37.68 10.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.589 HD12 ' HA ' ' A' ' 17' ' ' VAL . 82.1 mt -47.45 143.02 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.211 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.714 HG22 ' H ' ' A' ' 22' ' ' GLY . 1.4 m -92.87 176.59 6.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.185 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.714 ' H ' HG22 ' A' ' 21' ' ' THR . . . 75.25 -42.34 1.4 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 22' ' ' GLY . 10.2 mt-10 -35.29 -50.09 0.53 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.806 0.336 . . . . 0.0 110.883 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -107.11 -26.07 11.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.94 43.0 0.82 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.071 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -124.25 156.78 36.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.432 ' CB ' ' OD1' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -99.35 155.85 17.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.839 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -114.56 84.63 2.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.797 HG11 HD23 ' A' ' 56' ' ' LEU . 74.2 t -45.41 -62.5 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.177 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.435 ' O ' HD12 ' A' ' 30' ' ' LEU . 4.2 pp -153.5 138.53 17.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.962 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.719 ' NE2' HD21 ' A' ' 53' ' ' LEU . 46.9 tt0 -123.3 123.26 40.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.641 ' HE1' ' CB ' ' A' ' 120' ' ' ALA . 0.1 OUTLIER -156.2 128.39 7.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -55.37 135.6 50.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.897 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.6 t -151.21 174.02 13.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -114.49 121.42 43.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.503 HD22 ' HG2' ' A' ' 73' ' ' MET . 10.7 tp -103.5 115.59 30.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -110.43 163.38 13.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.629 HG22 ' CD2' ' A' ' 116' ' ' PHE . 3.8 t -124.85 151.18 30.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.536 ' HB2' ' CZ3' ' A' ' 46' ' ' TRP . 66.7 t80 -117.05 134.99 54.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 42' ' ' THR . 53.4 t0 -121.91 95.08 4.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 40' ' ' ASP . 4.6 ptpt -33.72 -34.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 40' ' ' ASP . 58.7 m -56.68 -50.09 73.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.21 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 40' ' ' ASP . 5.1 t -87.69 -27.98 22.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.406 ' NE2' ' O ' ' A' ' 41' ' ' LYS . 1.5 mm-40 67.05 35.65 4.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.978 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 t -146.47 177.75 8.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.757 ' CZ2' HD13 ' A' ' 117' ' ' LEU . 71.6 m95 -93.83 111.62 23.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.846 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 84.9 t -102.78 126.0 57.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.187 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -52.91 127.71 24.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -112.6 -49.27 2.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 174.09 122.91 0.7 Allowed Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.454 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.89 159.05 23.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.898 0.38 . . . . 0.0 110.895 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.437 ' N ' ' CE ' ' A' ' 73' ' ' MET . . . 164.35 -106.47 0.27 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.515 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.719 HD21 ' NE2' ' A' ' 31' ' ' GLN . 27.4 tp -120.56 137.75 54.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.864 0.364 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.459 ' H ' HD12 ' A' ' 53' ' ' LEU . 6.0 tp -121.31 140.78 51.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.496 ' CZ ' HG21 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -151.5 159.4 44.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.947 HD22 ' HB1' ' A' ' 131' ' ' ALA . 10.0 tp -115.86 108.28 16.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -92.47 153.38 19.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.432 ' OD1' ' CB ' ' A' ' 27' ' ' SER . 0.6 OUTLIER -116.73 136.95 52.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.88 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.513 ' O ' ' N ' ' A' ' 68' ' ' GLN . 22.2 ptt? -150.14 147.83 28.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.08 170.75 12.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 66' ' ' THR . 0.9 OUTLIER -92.77 165.84 12.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.851 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.453 HG23 ' N ' ' A' ' 63' ' ' ASP . 3.6 t -100.22 -47.75 4.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.174 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.453 ' N ' HG23 ' A' ' 62' ' ' THR . 2.5 m-20 -91.69 -17.32 25.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 66' ' ' THR . 10.9 t0 -116.91 -6.6 11.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.833 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.508 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 42.7 20.87 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.489 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.509 ' O ' ' N ' ' A' ' 61' ' ' SER . 0.8 OUTLIER -97.14 174.86 6.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.771 0.32 . . . . 0.0 111.184 -179.882 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.599 ' C ' HD13 ' A' ' 67' ' ' LEU . 2.5 tm? -64.74 99.83 0.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.513 ' N ' ' O ' ' A' ' 59' ' ' MET . 4.7 mm100 -96.82 172.01 8.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.959 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 1.003 ' HB2' HD12 ' A' ' 87' ' ' LEU . 8.7 m -145.53 167.09 23.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.809 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.455 ' HB3' ' HE2' ' A' ' 59' ' ' MET . 3.3 ptp180 -154.97 150.74 27.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.942 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.754 HD21 HD21 ' A' ' 132' ' ' LEU . 9.2 mt -92.66 147.22 23.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.496 HG21 ' CZ ' ' A' ' 55' ' ' ARG . 0.9 OUTLIER -146.63 152.35 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.192 179.847 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.503 ' HG2' HD22 ' A' ' 36' ' ' LEU . 10.8 tpt -154.55 113.31 3.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.91 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.492 ' CG ' ' NH2' ' A' ' 55' ' ' ARG . 21.1 mtp180 -97.02 143.09 28.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.808 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.559 HG23 HD12 ' A' ' 82' ' ' ILE . 6.5 p -88.49 145.36 25.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.201 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -74.83 116.8 15.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 144.56 -72.06 0.36 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 79' ' ' LEU . 7.4 t -124.83 34.77 4.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.859 0.362 . . . . 0.0 110.81 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 78' ' ' SER . 80.9 mt 37.28 47.81 0.73 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -87.3 134.79 33.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.733 HD13 ' N ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -92.23 140.73 29.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.733 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -132.07 -28.67 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.853 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.662 ' O ' HD11 ' A' ' 81' ' ' LEU . 7.4 tp -118.68 119.76 35.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -150.9 105.0 3.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.627 HG21 ' HB1' ' A' ' 105' ' ' ALA . 12.0 t -141.4 149.69 41.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.449 ' HD3' ' NE2' ' A' ' 68' ' ' GLN . 9.1 ttmm -92.47 119.67 32.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 1.003 HD12 ' HB2' ' A' ' 69' ' ' SER . 25.5 mt -56.91 146.43 26.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.567 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 44.7 p90 -127.55 160.95 29.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.972 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.41 -44.99 69.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.127 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.567 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 71.4 mm-40 -84.63 32.11 0.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.468 ' HA ' ' NE1' ' A' ' 88' ' ' TRP . 1.5 tpp -67.41 139.19 57.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -105.98 117.68 34.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.8 tt -149.31 121.02 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.62 150.36 40.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.844 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 16.7 tptp -99.43 98.17 9.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.26 -43.27 82.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.078 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.4 t -167.83 174.81 7.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -77.09 8.26 4.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.949 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -121.58 -39.3 2.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.969 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.423 ' C ' HG13 ' A' ' 101' ' ' ILE . 73.7 p -119.51 154.72 33.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.822 HD12 HD11 ' A' ' 128' ' ' LEU . 50.8 mt -145.75 144.9 20.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.717 ' CD2' HD12 ' A' ' 117' ' ' LEU . 9.4 m170 -114.33 132.66 56.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.63 HD13 ' CD1' ' A' ' 71' ' ' LEU . 1.5 pp -144.32 147.31 19.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.0 p -97.38 123.35 41.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.627 ' HB1' HG21 ' A' ' 85' ' ' THR . . . -142.07 159.4 42.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.102 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.805 ' HG3' HG22 ' A' ' 113' ' ' VAL . 8.9 mtt -87.53 147.47 25.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -84.22 165.44 18.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.8 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 43.2 p -90.68 -41.47 11.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.075 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -100.43 -45.14 5.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.23 -25.61 68.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 54.73 40.71 32.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -133.81 158.82 23.47 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.474 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.805 HG22 ' HG3' ' A' ' 106' ' ' MET . 46.4 t -91.8 99.23 9.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.905 0.383 . . . . 0.0 111.125 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.575 ' HG3' ' CE1' ' A' ' 116' ' ' PHE . 3.2 ptpt -115.34 161.76 18.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.407 HG13 ' O ' ' A' ' 115' ' ' VAL . 4.4 p -101.56 119.45 49.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.629 ' CD2' HG22 ' A' ' 38' ' ' VAL . 34.1 m-85 -96.94 177.76 5.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.757 HD13 ' CZ2' ' A' ' 46' ' ' TRP . 4.5 tp -125.9 144.42 50.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.469 HG21 HD22 ' A' ' 128' ' ' LEU . 19.4 mt -124.52 105.81 15.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.6 t -106.19 126.69 52.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.831 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.897 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -153.61 178.99 9.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.129 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 122' ' ' SER . 24.2 t -56.41 143.88 33.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.854 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 121' ' ' SER . 3.2 p -36.36 -41.36 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -82.28 -61.75 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.939 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -38.04 -39.07 0.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.585 ' CG2' HD11 ' A' ' 101' ' ' ILE . 36.1 m -58.58 -66.66 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -38.58 -34.65 0.27 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.492 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -65.93 -69.51 0.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.859 0.361 . . . . 0.0 110.866 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.822 HD11 HD12 ' A' ' 101' ' ' ILE . 1.7 pp -45.8 -38.49 7.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.539 ' HB2' HD13 ' A' ' 101' ' ' ILE . 38.2 t80 -64.93 -65.57 0.65 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -41.29 -38.27 1.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.947 ' HB1' HD22 ' A' ' 56' ' ' LEU . . . -63.49 -72.74 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.05 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.754 HD21 HD21 ' A' ' 71' ' ' LEU . 10.8 mp -39.4 -67.54 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -40.9 -66.74 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.812 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 55.2 t60 -43.77 -51.6 7.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.752 ' HD2' HD21 ' A' ' 56' ' ' LEU . 2.6 mmp_? -48.01 -32.72 6.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' A' ' 139' ' ' LEU . 3.6 mm -75.78 -53.89 14.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 43.0 mt -39.36 -37.92 0.49 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.98 -39.79 90.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 136' ' ' ILE . 2.6 mt -72.45 -47.64 47.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.518 ' O ' HG22 ' A' ' 143' ' ' VAL . 12.4 mtp180 -59.63 -42.41 92.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.4 m -55.3 -26.03 37.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . 0.464 ' CZ ' ' HB ' ' A' ' 66' ' ' THR . 39.8 mtt-85 -69.51 -40.29 77.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.864 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 140' ' ' ARG . 17.2 m -82.63 -38.0 14.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.157 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -139.64 107.84 5.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 13.4 t -67.63 97.26 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -77.79 164.37 51.78 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.462 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -2.53 10.33 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.64 2.226 . . . . 0.0 112.343 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 83.7 p -42.62 -44.98 4.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 82.1 p -69.2 133.02 47.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.454 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -169.5 143.45 2.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.897 0.379 . . . . 0.0 110.857 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.7 p -167.73 161.32 13.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.804 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.84 -169.56 13.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.5 p -157.75 163.12 38.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.893 0.377 . . . . 0.0 110.828 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 t -112.81 165.02 12.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.67 167.99 51.82 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.511 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.1 t -157.65 145.19 18.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.746 0.308 . . . . 0.0 111.185 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.25 146.64 28.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.139 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -59.09 -46.44 88.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.87 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 10' ' ' ARG . 25.6 pttm 35.72 41.22 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 56.6 m -105.79 144.75 32.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.428 HD23 ' H ' ' A' ' 15' ' ' GLU . 2.4 tt -67.48 127.4 32.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.432 ' H ' HD12 ' A' ' 14' ' ' LEU . 7.3 mp -49.97 -53.98 22.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.932 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.428 ' H ' HD23 ' A' ' 13' ' ' LEU . 40.8 mm-40 -69.32 72.14 0.3 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.483 ' O ' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -123.02 145.01 48.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.7 m -62.78 -34.89 68.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -44.7 -37.37 3.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.829 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 16' ' ' LYS . 4.4 m -90.54 -40.5 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.413 HG22 ' N ' ' A' ' 21' ' ' THR . 52.2 mt -48.19 153.4 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.57 HG22 ' N ' ' A' ' 22' ' ' GLY . 31.9 m -62.36 163.82 8.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.57 ' N ' HG22 ' A' ' 21' ' ' THR . . . -34.91 -57.18 0.81 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.484 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' A' ' 25' ' ' ALA . 36.3 mt-10 46.64 49.86 13.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.803 0.335 . . . . 0.0 110.882 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 38.66 25.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' A' ' 23' ' ' GLU . . . -132.09 57.32 1.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -91.13 174.67 7.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.5 t -91.16 125.07 35.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.823 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -116.59 123.11 46.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.4 HG21 HD23 ' A' ' 56' ' ' LEU . 16.7 m -93.51 -27.58 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.188 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.447 ' O ' HD12 ' A' ' 30' ' ' LEU . 2.5 pp -169.35 126.97 0.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.896 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 1.1 ' CD ' HD11 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -129.94 142.75 50.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.35 139.06 5.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -61.51 129.84 43.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.429 ' SG ' HG22 ' A' ' 118' ' ' ILE . 4.8 t -148.84 172.69 14.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.601 ' HD2' ' CZ ' ' A' ' 37' ' ' PHE . 17.2 ttmt -113.9 149.43 35.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.429 HD23 ' HB3' ' A' ' 49' ' ' ARG . 10.8 tp -118.98 125.3 49.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.601 ' CZ ' ' HD2' ' A' ' 35' ' ' LYS . 76.9 m-85 -112.96 141.91 46.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.952 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.534 ' O ' HG13 ' A' ' 38' ' ' VAL . 5.1 p -126.99 122.46 60.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.202 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.534 ' CE2' ' HA ' ' A' ' 41' ' ' LYS . 66.2 t80 -62.96 137.61 58.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 42' ' ' THR . 39.6 t0 -119.88 86.12 2.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.821 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.534 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -33.37 -33.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.92 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.508 ' N ' ' O ' ' A' ' 40' ' ' ASP . 23.2 m -60.72 -49.66 76.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.133 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 40' ' ' ASP . 42.4 t -94.44 -8.54 38.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.819 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 41' ' ' LYS . 1.5 mm-40 52.5 40.98 30.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.4 m -155.92 168.65 26.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -74.38 133.45 42.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 40.5 t -127.25 140.79 48.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.079 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -60.85 114.76 3.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.812 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.429 ' HB3' HD23 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -93.58 -45.01 7.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -177.13 129.01 1.39 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -117.33 138.45 51.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.845 0.355 . . . . 0.0 110.941 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 178.24 -126.73 1.1 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.488 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.1 HD11 ' CD ' ' A' ' 31' ' ' GLN . 55.9 tp -114.86 113.51 24.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.873 0.368 . . . . 0.0 110.956 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.573 HD12 ' O ' ' A' ' 72' ' ' VAL . 3.4 tp -100.4 134.97 42.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.8 ptt180 -151.51 153.86 35.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.772 HD22 ' NE ' ' A' ' 135' ' ' ARG . 4.8 tp -98.84 111.2 23.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -93.26 139.1 31.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -100.67 124.47 46.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.82 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.499 ' O ' ' N ' ' A' ' 68' ' ' GLN . 24.8 ptt? -128.39 153.97 46.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.844 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -80.36 152.31 28.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.091 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.461 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.7 OUTLIER -87.86 153.37 21.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.818 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.61 -45.64 6.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.138 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -90.12 -10.71 43.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 142' ' ' ARG . 37.4 m-20 -120.48 -16.71 8.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.461 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 54.64 12.32 3.37 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.405 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.2 t -100.76 174.63 5.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 0.0 111.155 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -67.36 100.76 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 59' ' ' MET . 6.1 mm-40 -88.69 169.23 11.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.423 ' CB ' HD12 ' A' ' 87' ' ' LEU . 17.1 m -135.82 160.9 37.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.6 ttm-85 -152.91 150.77 29.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.3 mt -96.77 114.7 26.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.573 ' O ' HD12 ' A' ' 54' ' ' LEU . 2.1 t -115.75 147.22 19.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.733 ' SD ' HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -148.43 109.81 4.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.643 ' NH2' HD23 ' A' ' 79' ' ' LEU . 27.8 mtp180 -105.9 129.3 54.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.491 HG23 HD12 ' A' ' 82' ' ' ILE . 17.0 p -72.58 144.35 47.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.457 ' O ' ' C ' ' A' ' 77' ' ' GLY . 1.9 pp0? -57.43 -44.99 85.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 76' ' ' GLN . . . -33.67 -84.32 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.523 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 86.1 p -130.6 46.04 2.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.941 0.4 . . . . 0.0 110.83 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.643 HD23 ' NH2' ' A' ' 74' ' ' ARG . 9.8 mp 41.41 38.5 0.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -76.85 110.04 11.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.817 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.665 HD11 ' O ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -62.75 130.4 44.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.733 HD11 ' SD ' ' A' ' 73' ' ' MET . 0.2 OUTLIER -126.32 -26.01 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.078 179.858 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.665 ' O ' HD11 ' A' ' 81' ' ' LEU . 9.4 tp -124.09 129.78 51.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -161.58 105.02 1.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 4.8 t -148.33 132.39 17.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -75.51 125.06 28.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.609 HD23 ' CE ' ' A' ' 91' ' ' MET . 16.4 mt -58.11 148.21 27.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.592 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 46.1 p90 -129.67 157.86 40.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.35 -44.21 65.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.071 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.592 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 50.1 mm-40 -84.06 32.54 0.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.609 ' CE ' HD23 ' A' ' 87' ' ' LEU . 1.9 tpp -72.41 145.46 47.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -108.72 116.59 32.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.604 HD12 ' CD2' ' A' ' 132' ' ' LEU . 1.1 tt -149.02 123.41 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.136 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -130.25 144.6 51.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.539 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 16.7 tptp -80.46 101.34 9.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.488 ' HB2' ' CD2' ' A' ' 102' ' ' HIS . . . -71.2 -44.0 66.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.174 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.1 m -167.07 -175.91 3.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.568 ' O ' HG21 ' A' ' 125' ' ' THR . 7.7 tt0 -72.11 -33.64 68.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -112.68 28.11 9.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.403 ' C ' HG13 ' A' ' 101' ' ' ILE . 2.4 p -159.57 144.18 15.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.674 ' HB ' HD12 ' A' ' 118' ' ' ILE . 13.2 mt -141.87 153.52 19.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.15 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.613 ' CD2' HD12 ' A' ' 117' ' ' LEU . 8.8 m-70 -122.95 119.84 31.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.479 ' C ' HD12 ' A' ' 103' ' ' ILE . 1.3 pp -139.49 147.91 23.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 16.1 p -97.81 125.68 42.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -143.93 158.62 43.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.155 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.722 ' HG3' HG22 ' A' ' 113' ' ' VAL . 9.6 mtt -86.69 161.44 18.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -103.8 164.34 11.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.818 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 68.4 p -91.86 -34.61 14.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.182 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -100.77 -51.32 3.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.832 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -64.15 -25.83 68.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 53.76 43.67 30.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -139.16 151.18 21.67 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.722 HG22 ' HG3' ' A' ' 106' ' ' MET . 51.7 t -81.24 97.59 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.895 0.379 . . . . 0.0 111.109 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.59 ' HG3' ' CZ ' ' A' ' 116' ' ' PHE . 0.5 OUTLIER -112.9 157.82 20.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.47 ' O ' HG13 ' A' ' 115' ' ' VAL . 6.5 p -98.52 116.16 40.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.173 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.59 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 70.0 m-85 -95.8 177.57 5.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.613 HD12 ' CD2' ' A' ' 102' ' ' HIS . 3.3 tp -122.98 158.11 31.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.971 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.692 HG21 ' CD2' ' A' ' 128' ' ' LEU . 2.9 mt -134.92 103.15 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.172 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 13.3 t -102.29 120.23 40.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.46 ' HB1' ' CB ' ' A' ' 124' ' ' ASP . . . -151.89 172.48 16.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.061 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.468 ' O ' ' C ' ' A' ' 122' ' ' SER . 8.8 m -65.16 146.99 54.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.826 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.468 ' C ' ' O ' ' A' ' 121' ' ' SER . 30.4 p -33.27 -45.31 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.783 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 24.9 tptt -68.06 -61.71 1.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.46 ' CB ' ' HB1' ' A' ' 120' ' ' ALA . 44.4 m-20 -44.46 -59.87 2.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.624 HG23 HD11 ' A' ' 101' ' ' ILE . 21.8 m -46.97 -64.21 0.84 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.158 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -39.52 -46.13 2.73 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -57.7 -66.02 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.329 . . . . 0.0 110.929 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.692 ' CD2' HG21 ' A' ' 118' ' ' ILE . 7.5 tp -45.35 -69.34 0.14 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.961 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.539 ' CZ ' ' HB2' ' A' ' 95' ' ' LYS . 41.6 t80 -41.19 -59.55 1.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.976 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -46.35 -38.07 8.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.126 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 132' ' ' LEU . . . -72.04 -60.15 2.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.604 ' CD2' HD12 ' A' ' 93' ' ' ILE . 3.4 mp -36.72 -69.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.963 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.454 ' C ' ' O ' ' A' ' 132' ' ' LEU . 11.2 t-160 -33.53 -55.52 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.459 ' HA ' HD12 ' A' ' 137' ' ' LEU . 2.1 t60 -55.91 -44.87 78.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.772 ' NE ' HD22 ' A' ' 56' ' ' LEU . 72.7 mtt180 -48.87 -37.85 20.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.512 ' N ' HD13 ' A' ' 136' ' ' ILE . 2.1 mm -73.88 -47.21 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.141 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.474 ' HA ' ' CG ' ' A' ' 140' ' ' ARG . 38.8 mt -44.12 -40.27 4.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.11 -32.49 74.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 136' ' ' ILE . 2.1 mt -83.26 -57.95 3.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.474 ' CG ' ' HA ' ' A' ' 137' ' ' LEU . 2.1 ptm180 -54.68 -25.21 25.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.5 m -68.89 -27.25 65.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 64' ' ' ASP . 13.6 mtp85 -71.82 -47.32 54.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 142' ' ' ARG . 71.7 t -35.83 -57.54 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.099 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -115.77 126.46 54.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 36.6 m -83.3 43.33 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.812 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -44.41 160.34 0.11 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.459 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -47.6 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.686 2.258 . . . . 0.0 112.34 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 48.0 t -78.12 100.36 6.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 15.1 m -138.82 137.91 37.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.49 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -151.64 137.76 18.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.882 0.372 . . . . 0.0 110.853 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.4 m -106.43 162.5 13.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.871 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.19 -164.64 39.74 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.4 p -164.67 136.93 4.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.911 0.386 . . . . 0.0 110.849 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.4 p -58.2 172.84 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.822 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.79 106.28 0.3 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.463 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 8' ' ' THR . 14.1 t -52.43 125.82 17.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.756 0.312 . . . . 0.0 111.207 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -109.74 163.96 13.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.046 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -108.29 172.71 6.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.7 mmtt -128.11 173.12 10.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.4 t -67.57 113.26 5.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 32.7 mt -127.95 151.31 49.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 tp -47.75 -55.8 8.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -66.85 72.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -92.84 157.8 16.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' A' ' 20' ' ' ILE . 1.9 t -89.07 -45.34 15.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 17' ' ' VAL . 10.0 pt-20 -34.5 -35.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.45 HG23 ' N ' ' A' ' 20' ' ' ILE . 24.3 m -82.33 -43.72 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.1 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.73 HG22 ' H ' ' A' ' 22' ' ' GLY . 92.9 mt -47.24 142.34 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.051 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 m -82.42 -23.1 35.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.175 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.73 ' H ' HG22 ' A' ' 20' ' ' ILE . . . -73.61 42.3 1.05 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.503 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -125.22 -22.0 4.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.893 0.378 . . . . 0.0 110.936 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -119.89 -18.04 8.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -102.67 42.14 1.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -79.42 166.23 22.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.5 m -88.87 149.15 23.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.79 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -117.17 116.82 28.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 1.114 HG11 HD23 ' A' ' 56' ' ' LEU . 8.8 p -96.88 -30.72 3.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.104 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.572 ' O ' HD12 ' A' ' 30' ' ' LEU . 3.2 pp -166.92 133.01 2.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.847 ' CG ' HD11 ' A' ' 53' ' ' LEU . 35.7 tt0 -132.42 140.35 48.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.958 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.06 136.83 5.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -63.85 127.31 30.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.702 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.8 t -145.06 -179.24 6.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -126.69 156.32 41.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.518 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 10.8 tp -119.86 139.71 51.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.518 ' CD1' ' O ' ' A' ' 36' ' ' LEU . 12.9 m-85 -140.86 137.65 33.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.553 HG22 ' HB2' ' A' ' 49' ' ' ARG . 6.9 m -122.08 153.42 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -90.76 130.77 36.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 42' ' ' THR . 18.5 t0 -125.59 106.23 9.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -38.4 -26.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.978 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.495 ' N ' ' O ' ' A' ' 40' ' ' ASP . 29.4 m -60.63 -48.17 82.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.1 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.0 m -95.44 -23.13 17.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 67.13 33.1 5.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.4 m -162.2 -177.13 5.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 63.9 m95 -76.54 127.76 33.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 48' ' ' GLU . 90.6 t -118.1 152.87 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.413 ' N ' HG12 ' A' ' 47' ' ' VAL . 20.2 tt0 -71.6 114.95 10.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.553 ' HB2' HG22 ' A' ' 38' ' ' VAL . 0.4 OUTLIER -105.58 -43.48 4.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 -179.867 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -174.18 117.8 0.65 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.6 ptt85 -115.61 141.22 48.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 0.0 110.862 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.445 ' N ' ' CE ' ' A' ' 73' ' ' MET . . . 169.89 -126.98 1.41 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.516 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.847 HD11 ' CG ' ' A' ' 31' ' ' GLN . 47.5 tp -102.04 144.72 30.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.891 0.377 . . . . 0.0 110.924 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.735 HD12 ' O ' ' A' ' 72' ' ' VAL . 4.1 tp -138.24 131.66 30.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.943 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.37 151.12 31.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.114 HD23 HG11 ' A' ' 29' ' ' VAL . 4.5 tp -90.82 112.4 24.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.41 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 5.1 p30 -92.19 135.38 34.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.471 ' OD1' ' C ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -93.6 141.81 28.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 24.9 ptt? -152.87 147.39 25.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.11 152.02 23.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.464 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.5 OUTLIER -82.39 156.19 24.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.752 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.95 -53.77 3.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.148 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -84.01 -11.61 56.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -117.78 -18.01 9.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.464 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 52.42 14.08 2.14 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.453 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.694 HG21 ' NE ' ' A' ' 142' ' ' ARG . 11.9 t -97.53 175.0 6.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.756 0.312 . . . . 0.0 111.199 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.735 ' O ' HD13 ' A' ' 67' ' ' LEU . 2.7 tm? -66.52 99.43 0.57 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.96 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.415 ' HG3' ' CB ' ' A' ' 61' ' ' SER . 6.5 mm-40 -93.9 168.38 11.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.3 m -154.89 162.39 41.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -148.24 165.33 31.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.982 HD21 HD11 ' A' ' 132' ' ' LEU . 5.7 mt -105.37 122.93 46.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.973 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.735 ' O ' HD12 ' A' ' 54' ' ' LEU . 2.3 t -124.68 146.79 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.165 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.445 ' CE ' ' N ' ' A' ' 52' ' ' GLY . 10.2 tpt -146.9 108.98 4.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 22.8 mtp85 -95.77 135.03 38.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.432 HG23 HD12 ' A' ' 82' ' ' ILE . 18.2 p -77.55 155.68 31.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -77.11 167.11 22.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.05 -47.47 2.26 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.478 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 56.1 p -143.99 137.94 28.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 0.0 110.85 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.495 ' CD2' ' N ' ' A' ' 79' ' ' LEU . 1.2 mm? -68.19 71.22 0.17 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -109.18 110.3 21.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.653 HD13 ' N ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -76.56 134.11 39.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.658 HD13 ' H ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -127.31 -27.68 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.885 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.564 ' O ' HD11 ' A' ' 81' ' ' LEU . 3.0 tp -121.0 115.85 23.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -147.01 105.0 3.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.654 HG21 ' HB1' ' A' ' 105' ' ' ALA . 4.6 t -146.26 156.37 43.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.424 ' CD ' ' O ' ' A' ' 87' ' ' LEU . 3.7 tmmm? -93.27 149.79 20.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.958 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.607 HD21 ' HG ' ' A' ' 71' ' ' LEU . 26.2 mt -88.7 133.34 34.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.87 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.604 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 46.8 p90 -120.68 158.08 28.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.491 ' HB1' ' HA ' ' A' ' 140' ' ' ARG . . . -53.21 -42.62 66.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.071 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.604 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 70.2 mm-40 -85.08 32.11 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.607 ' SD ' HD22 ' A' ' 87' ' ' LEU . 2.3 ttm -77.02 140.6 40.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -98.33 116.41 30.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.428 ' CD1' ' HB3' ' A' ' 132' ' ' LEU . 2.1 tt -151.83 117.66 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -134.69 130.9 37.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.821 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.513 ' HD3' ' CD2' ' A' ' 129' ' ' TYR . 12.4 tptm -62.84 93.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.732 ' HB2' ' ND1' ' A' ' 102' ' ' HIS . . . -61.39 -48.35 81.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 t -149.23 172.6 14.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -70.0 -22.74 63.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -112.95 -8.11 13.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 69.9 m -127.76 150.28 49.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.894 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.443 HD12 ' HB ' ' A' ' 118' ' ' ILE . 8.7 mt -133.41 138.64 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.732 ' ND1' ' HB2' ' A' ' 96' ' ' ALA . 7.2 m170 -105.25 107.62 18.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.57 HD13 HD13 ' A' ' 71' ' ' LEU . 1.0 OUTLIER -130.96 147.24 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 42.4 p -103.26 127.26 50.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.654 ' HB1' HG21 ' A' ' 85' ' ' THR . . . -144.34 169.72 17.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.477 ' HG3' HG22 ' A' ' 113' ' ' VAL . 28.2 mtt -99.39 163.19 12.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -106.32 157.42 17.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.833 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 78.1 p -79.67 -36.16 38.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.06 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -98.1 -50.97 4.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.838 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 111' ' ' GLN . 3.0 t70 -70.11 -12.46 61.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 110' ' ' ASP . 14.6 mt-30 34.54 47.23 0.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.815 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -140.21 149.63 21.0 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.442 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.477 HG22 ' HG3' ' A' ' 106' ' ' MET . 64.6 t -79.33 107.51 11.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.863 0.363 . . . . 0.0 111.142 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.569 ' HG3' ' CE2' ' A' ' 116' ' ' PHE . 0.6 OUTLIER -119.15 158.36 26.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 179.874 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 82.2 t -81.87 109.54 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.161 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.569 ' CE2' ' HG3' ' A' ' 114' ' ' LYS . 57.3 m-85 -97.54 156.1 16.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.579 HD12 ' CD2' ' A' ' 102' ' ' HIS . 3.2 tp -122.5 156.66 33.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.445 HG22 ' SG ' ' A' ' 34' ' ' CYS . 32.5 mt -131.83 95.63 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.074 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 36.8 t -87.77 100.26 12.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.702 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -132.44 172.34 12.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 123' ' ' LYS . 2.7 t -68.16 144.7 54.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 121' ' ' SER . 24.0 p -37.1 -32.25 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.834 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 121' ' ' SER . 19.9 tptm -78.32 -59.51 2.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.882 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -55.79 -53.73 53.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 52.5 m -41.02 -49.93 3.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.147 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -57.37 -44.87 93.38 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -57.54 -60.3 3.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.751 0.31 . . . . 0.0 110.859 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.511 ' HG ' HD21 ' A' ' 54' ' ' LEU . 0.7 OUTLIER -50.95 -67.67 0.23 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.946 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.513 ' CD2' ' HD3' ' A' ' 95' ' ' LYS . 40.6 t80 -46.4 -60.71 2.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -41.41 -45.25 3.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.06 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.577 ' HB1' HD22 ' A' ' 56' ' ' LEU . . . -63.78 -62.58 1.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.982 HD11 HD21 ' A' ' 71' ' ' LEU . 0.6 OUTLIER -37.98 -70.88 0.09 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.503 ' CE1' HD21 ' A' ' 137' ' ' LEU . 3.0 t-160 -32.89 -68.58 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.502 ' HA ' HD12 ' A' ' 137' ' ' LEU . 11.0 t60 -41.64 -61.29 1.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.842 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.723 ' NE ' HD21 ' A' ' 56' ' ' LEU . 12.3 mmt180 -35.99 -39.86 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.819 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.433 HG12 ' HB3' ' A' ' 91' ' ' MET . 4.4 mp -83.62 -44.49 18.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.167 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.503 HD21 ' CE1' ' A' ' 133' ' ' HIS . 83.1 mt -47.26 -29.32 2.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.917 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -77.82 -30.35 51.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.163 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 5.7 mt -78.93 -56.7 4.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.491 ' HA ' ' HB1' ' A' ' 89' ' ' ALA . 5.8 ptm180 -45.34 -28.76 0.89 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.811 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 40.1 t -70.37 -50.16 41.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . 0.694 ' NE ' HG21 ' A' ' 66' ' ' THR . 4.2 mtm105 -47.32 -51.66 18.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.429 ' C ' ' O ' ' A' ' 142' ' ' ARG . 99.9 t -34.91 -54.19 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -104.04 117.49 34.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.4 m -84.23 84.14 7.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -62.2 -153.37 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.514 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -11.67 31.24 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.698 2.265 . . . . 0.0 112.298 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 46.8 p -91.39 147.63 22.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.9 t -143.97 172.08 13.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.911 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.578 -179.932 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.6 m -153.72 145.84 23.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.349 . . . . 0.0 110.896 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.5 p -152.0 167.09 29.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.853 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.93 -49.53 0.36 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.482 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.1 p -48.86 129.19 16.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.816 0.341 . . . . 0.0 110.854 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.1 m -136.33 145.08 45.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.815 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.34 139.29 15.37 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.422 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 73.6 p -86.88 -46.36 9.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.806 0.336 . . . . 0.0 111.145 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -174.67 147.66 1.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.02 150.12 45.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.454 ' HD2' ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -96.68 -36.12 10.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.454 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 32.0 p -88.86 178.37 6.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.83 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -78.22 129.33 34.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' ' 14' ' ' LEU . 11.5 mt -57.5 160.48 4.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 47.16 38.65 7.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -56.62 147.73 21.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.613 ' HA ' HD12 ' A' ' 20' ' ' ILE . 16.1 m -77.77 -32.24 17.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.15 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.514 ' HG3' HG13 ' A' ' 19' ' ' VAL . 17.8 pt-20 -37.9 -41.04 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.548 HG23 ' N ' ' A' ' 20' ' ' ILE . 33.4 m -87.74 -46.98 15.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.122 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.613 HD12 ' HA ' ' A' ' 17' ' ' VAL . 96.0 mt -40.91 147.09 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.078 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.439 HG22 ' N ' ' A' ' 22' ' ' GLY . 3.2 m -53.91 163.98 0.66 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.078 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.439 ' N ' HG22 ' A' ' 21' ' ' THR . . . -42.83 -37.98 3.06 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.489 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 22' ' ' GLY . 3.7 pt-20 37.14 46.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.77 0.319 . . . . 0.0 110.878 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.594 ' CG ' ' O ' ' A' ' 24' ' ' GLU . 4.3 pt-20 -175.57 109.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 61.43 47.9 6.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.079 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -84.7 157.29 21.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.2 m -107.6 135.21 49.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.83 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -141.87 134.14 27.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.498 ' CG2' HD23 ' A' ' 56' ' ' LEU . 4.4 m -108.89 -33.08 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.447 ' O ' HD12 ' A' ' 30' ' ' LEU . 4.0 pp -156.74 134.17 10.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.968 ' CG ' HD11 ' A' ' 53' ' ' LEU . 33.0 tt0 -134.83 132.41 38.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.467 ' CE ' ' HB3' ' A' ' 124' ' ' ASP . 0.2 OUTLIER -155.7 133.97 11.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.911 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -62.26 123.21 17.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.581 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.6 t -138.91 -176.25 4.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.421 ' HD3' ' CZ ' ' A' ' 37' ' ' PHE . 33.7 tttp -125.35 151.92 45.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.9 tp -115.57 139.46 50.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.421 ' CZ ' ' HD3' ' A' ' 35' ' ' LYS . 64.2 m-85 -130.69 154.85 47.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.833 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.478 ' CG1' ' CE1' ' A' ' 116' ' ' PHE . 2.5 m -144.15 144.08 22.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.138 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.413 ' CZ ' ' HA ' ' A' ' 44' ' ' GLN . 29.4 t80 -89.5 124.14 34.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 42' ' ' THR . 4.8 t0 -118.53 105.04 11.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 40' ' ' ASP . 11.4 ttmt -33.95 -33.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.924 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 40' ' ' ASP . 32.9 m -56.84 -51.01 70.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.144 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 40' ' ' ASP . 44.8 t -89.2 -26.87 21.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.889 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.413 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 1.5 mm-40 68.76 36.11 2.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.86 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 t -165.55 -177.82 4.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.806 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 73.3 m95 -73.87 132.35 42.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 92.9 t -124.15 148.89 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.15 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -70.3 115.28 9.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.472 ' HB2' HG22 ' A' ' 38' ' ' VAL . 1.2 tmt_? -96.07 -43.08 7.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -176.81 126.01 1.08 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -112.29 144.86 41.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.91 0.386 . . . . 0.0 110.818 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 165.41 -124.35 1.24 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.469 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.968 HD11 ' CG ' ' A' ' 31' ' ' GLN . 53.6 tp -108.83 145.57 35.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.819 0.343 . . . . 0.0 110.922 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.6 HD12 ' O ' ' A' ' 72' ' ' VAL . 2.5 tp -141.5 130.1 22.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.466 ' NH2' ' NE ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -151.49 151.14 31.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.825 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.625 HD22 ' HB1' ' A' ' 131' ' ' ALA . 2.3 tp -89.65 111.04 21.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -94.53 154.12 17.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.549 ' CG ' HD21 ' A' ' 67' ' ' LEU . 6.2 t0 -108.26 142.36 38.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.506 ' O ' ' N ' ' A' ' 68' ' ' GLN . 18.9 ptt? -150.06 146.7 27.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.16 156.59 31.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.17 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.491 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.5 OUTLIER -87.81 158.14 18.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.865 -179.773 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.77 -49.05 4.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.182 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -88.43 -12.73 42.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -117.29 -18.22 9.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.491 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 52.81 20.6 8.27 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.505 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.49 HG21 ' NE ' ' A' ' 142' ' ' ARG . 11.3 t -105.36 174.92 5.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.826 0.346 . . . . 0.0 111.134 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.594 ' C ' HD13 ' A' ' 67' ' ' LEU . 2.5 tm? -65.5 99.38 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.96 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.506 ' N ' ' O ' ' A' ' 59' ' ' MET . 6.9 mm-40 -94.18 171.6 8.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.485 ' CB ' ' HD3' ' A' ' 135' ' ' ARG . 50.1 m -151.64 160.72 43.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.482 ' CD ' HG23 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -151.87 170.54 19.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.871 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.544 ' HG ' HD21 ' A' ' 87' ' ' LEU . 4.0 mt -105.28 118.36 36.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.6 ' O ' HD12 ' A' ' 54' ' ' LEU . 2.1 t -115.19 148.79 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.471 ' C ' ' SD ' ' A' ' 73' ' ' MET . 0.0 OUTLIER -148.95 116.59 6.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.676 ' HD3' HD12 ' A' ' 79' ' ' LEU . 68.6 mtt180 -109.9 128.68 55.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.598 HG23 HD12 ' A' ' 82' ' ' ILE . 11.8 p -72.89 159.52 33.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.106 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -85.82 115.72 23.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 148.64 -77.44 0.24 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.523 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.3 m -122.5 36.0 4.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.953 0.406 . . . . 0.0 110.9 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.676 HD12 ' HD3' ' A' ' 74' ' ' ARG . 4.3 mm? 40.03 49.89 2.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -85.61 126.32 33.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.688 HD13 ' N ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -84.53 137.99 33.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.688 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -131.7 -29.97 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.08 179.899 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.634 ' O ' HD11 ' A' ' 81' ' ' LEU . 13.8 tp -119.56 124.88 47.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.536 ' ND2' HG22 ' A' ' 72' ' ' VAL . 2.2 t-20 -156.84 105.03 2.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.647 HG21 ' HB1' ' A' ' 105' ' ' ALA . 9.6 t -144.93 149.11 34.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.472 ' HD3' ' NE2' ' A' ' 68' ' ' GLN . 31.7 ttmt -91.67 121.14 33.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.544 HD21 ' HG ' ' A' ' 71' ' ' LEU . 12.9 mt -56.12 139.3 47.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.602 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 47.8 p90 -125.86 155.55 41.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.409 ' C ' ' H ' ' A' ' 91' ' ' MET . . . -54.11 -44.87 71.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.602 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 72.9 mm-40 -78.93 29.61 0.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.954 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.514 ' HA ' ' NE1' ' A' ' 88' ' ' TRP . 3.1 ttm -74.34 147.26 42.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -113.01 110.88 21.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.6 tt -141.99 111.87 2.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -112.06 135.8 52.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.532 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 12.8 tptp -84.83 98.28 10.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.85 -37.77 76.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.087 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.12 174.19 2.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.799 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -78.48 9.28 4.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -118.8 -31.35 4.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.412 ' C ' HG13 ' A' ' 101' ' ' ILE . 52.1 p -133.16 152.58 51.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.813 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.455 HD11 ' CG2' ' A' ' 125' ' ' THR . 14.9 mt -140.33 138.51 36.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.103 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.506 ' CD2' HD12 ' A' ' 117' ' ' LEU . 12.8 m170 -103.16 116.59 32.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.536 HD13 HD13 ' A' ' 71' ' ' LEU . 1.3 pp -131.53 144.78 36.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 18.4 p -98.27 128.67 44.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.647 ' HB1' HG21 ' A' ' 85' ' ' THR . . . -149.18 159.75 43.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.05 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.551 ' HG3' HG22 ' A' ' 113' ' ' VAL . 12.7 mtm -89.6 173.7 8.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -110.81 161.06 16.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.864 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 62.2 p -86.37 -37.57 18.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -99.27 -48.9 4.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -70.41 -20.21 62.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.792 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 45.1 48.26 9.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -139.88 154.88 24.06 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.462 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.551 HG22 ' HG3' ' A' ' 106' ' ' MET . 93.3 t -87.95 119.92 36.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.934 0.397 . . . . 0.0 111.181 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.482 ' HD2' ' CZ ' ' A' ' 116' ' ' PHE . 8.8 ptpt -131.84 162.55 30.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 90.5 t -84.9 108.61 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.156 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.482 ' CZ ' ' HD2' ' A' ' 114' ' ' LYS . 55.3 m-85 -96.13 157.4 15.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.506 HD12 ' CD2' ' A' ' 102' ' ' HIS . 6.1 tp -123.77 153.58 40.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.939 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.441 ' N ' ' HG ' ' A' ' 117' ' ' LEU . 62.4 mt -126.19 95.98 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 26.8 t -91.68 112.55 24.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.581 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -147.21 178.17 8.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.0 t -70.5 160.18 32.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 10.0 p -44.31 -34.23 1.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 19.8 tptm -81.1 -67.43 0.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.468 ' HB2' ' HB1' ' A' ' 120' ' ' ALA . 39.4 m-20 -41.24 -59.39 1.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.811 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.455 ' CG2' HD11 ' A' ' 101' ' ' ILE . 98.6 m -43.28 -56.33 3.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -48.0 -51.21 19.75 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.46 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -46.83 -69.41 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.828 0.347 . . . . 0.0 110.892 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.448 HD11 HD21 ' A' ' 54' ' ' LEU . 2.0 mm? -38.35 -69.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.948 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.532 ' CZ ' ' HB2' ' A' ' 95' ' ' LYS . 72.3 t80 -44.19 -50.5 8.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.44 -28.36 59.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.085 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.625 ' HB1' HD22 ' A' ' 56' ' ' LEU . . . -83.85 -51.07 7.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.18 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 133' ' ' HIS . 25.9 mt -53.71 -67.35 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.449 ' C ' ' O ' ' A' ' 132' ' ' LEU . 12.7 t-80 -33.56 -62.07 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -52.93 -47.68 67.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.485 ' HD3' ' CB ' ' A' ' 69' ' ' SER . 2.7 mmp_? -52.68 -37.95 59.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.801 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.481 ' N ' HD13 ' A' ' 136' ' ' ILE . 3.1 mm -67.96 -48.09 76.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.474 ' HA ' ' CG ' ' A' ' 140' ' ' ARG . 22.4 mt -46.86 -41.99 16.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.57 -40.85 93.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.065 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.3 mt -67.9 -51.67 45.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.474 ' CG ' ' HA ' ' A' ' 137' ' ' LEU . 10.4 ptm180 -65.04 -21.42 66.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 18.7 t -73.4 -29.48 62.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.8 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . 0.49 ' NE ' HG21 ' A' ' 66' ' ' THR . 20.8 mtt-85 -73.0 -46.35 52.73 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 15.9 m -71.06 -38.89 73.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -131.59 137.93 48.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.821 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 68.1 m -97.97 91.56 5.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -75.15 175.16 51.17 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 164.64 33.88 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.659 2.24 . . . . 0.0 112.298 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 67.3 m -147.36 126.95 13.28 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 29.1 m -128.22 173.06 10.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.508 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.8 t -103.47 142.76 33.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.898 0.38 . . . . 0.0 110.873 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.2 m -107.22 -44.74 4.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.846 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.8 173.23 42.2 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.5 t -128.0 129.94 47.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.898 0.38 . . . . 0.0 110.878 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.4 p -129.57 111.71 13.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.846 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.14 154.97 10.54 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 65.0 p -143.14 114.92 8.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.847 0.356 . . . . 0.0 111.149 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.95 174.8 8.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.6 169.12 23.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -129.25 138.8 51.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 95.2 m -125.4 -49.49 1.67 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -151.73 173.86 14.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mp -66.17 171.98 4.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 41.65 46.09 3.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.456 ' O ' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -47.19 173.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.475 ' HA ' HD12 ' A' ' 20' ' ' ILE . 2.9 m -69.82 -22.89 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -50.31 -38.55 42.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 16' ' ' LYS . 15.5 m -87.31 -29.09 5.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.105 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.619 HG22 ' H ' ' A' ' 22' ' ' GLY . 58.1 mt -67.38 145.57 13.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.0 m -98.29 -19.77 17.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.189 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.619 ' H ' HG22 ' A' ' 20' ' ' ILE . . . -68.98 6.36 3.91 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -80.55 15.9 1.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.795 0.331 . . . . 0.0 110.895 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.421 ' CG ' ' N ' ' A' ' 25' ' ' ALA . 10.3 pt-20 -78.33 -54.38 6.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.421 ' N ' ' CG ' ' A' ' 24' ' ' GLU . . . 44.28 30.51 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 25' ' ' ALA . 1.0 OUTLIER -41.38 164.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.891 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.489 ' CB ' ' OD1' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -147.41 138.38 23.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.809 -179.797 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -103.39 108.06 19.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.806 HG21 HD23 ' A' ' 56' ' ' LEU . 2.3 m -77.82 -44.92 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.506 ' N ' ' CG2' ' A' ' 29' ' ' VAL . 3.6 pp -159.63 150.4 19.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.886 ' CG ' HD11 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -142.7 147.61 35.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.442 ' N ' ' HG2' ' A' ' 31' ' ' GLN . 2.7 ptm -168.55 143.64 3.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -72.86 117.49 14.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.95 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.864 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.8 t -134.61 176.05 8.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.875 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -120.83 137.43 54.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.909 HD21 ' CD1' ' A' ' 116' ' ' PHE . 5.8 tp -103.05 137.01 41.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.527 ' HD2' HD23 ' A' ' 117' ' ' LEU . 22.3 m-85 -136.34 117.78 14.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.655 ' CG1' ' CE1' ' A' ' 116' ' ' PHE . 28.6 m -109.56 152.33 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -87.02 127.31 35.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 42' ' ' THR . 66.9 t0 -119.64 98.62 6.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 40' ' ' ASP . 2.9 ttmm -33.54 -33.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 40' ' ' ASP . 86.4 m -55.38 -50.68 69.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 40' ' ' ASP . 5.9 p -91.59 -25.99 18.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.412 ' NE2' ' O ' ' A' ' 41' ' ' LYS . 1.0 OUTLIER 68.8 30.7 4.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 56.0 m -149.92 -177.69 6.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 85.1 m95 -81.69 100.65 9.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.963 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 89.2 t -99.19 130.84 47.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.125 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -68.61 134.57 50.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.08 -5.77 19.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 146.97 124.74 1.57 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.418 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.75 156.58 20.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.881 0.372 . . . . 0.0 110.825 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 163.99 -119.49 0.88 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.525 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.886 HD11 ' CG ' ' A' ' 31' ' ' GLN . 37.2 tp -112.19 134.56 53.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.822 0.344 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.564 HD12 ' O ' ' A' ' 72' ' ' VAL . 4.7 tp -127.55 131.48 50.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.915 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.59 150.78 30.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.806 HD23 HG21 ' A' ' 29' ' ' VAL . 3.5 tp -94.36 117.69 30.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -102.6 143.25 32.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.803 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.489 ' OD1' ' CB ' ' A' ' 27' ' ' SER . 0.5 OUTLIER -100.19 145.2 28.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 179.847 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.479 ' O ' ' N ' ' A' ' 68' ' ' GLN . 24.6 ptt? -151.22 151.86 32.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -82.33 154.19 25.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.056 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.442 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 1.1 t -87.31 157.91 19.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.42 -55.2 2.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.78 -6.84 59.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -122.0 -20.47 6.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.442 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 55.39 12.63 4.62 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.463 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.2 t -98.15 172.78 7.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 0.0 111.172 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -66.2 100.96 0.66 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 59' ' ' MET . 6.0 mm-40 -92.15 167.83 11.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.5 m -136.87 159.66 41.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -148.19 152.85 37.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.491 HD21 HD21 ' A' ' 132' ' ' LEU . 13.8 mt -104.54 120.05 40.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.564 ' O ' HD12 ' A' ' 54' ' ' LEU . 2.2 t -123.43 147.23 27.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.068 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 10.9 tpt -148.32 105.86 3.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 58.4 mtm180 -90.89 138.3 31.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.832 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.85 HG23 HD12 ' A' ' 82' ' ' ILE . 19.0 p -91.74 132.0 36.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.076 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -47.87 170.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.91 -75.71 2.17 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.433 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 97.1 p -122.33 22.19 10.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.903 0.382 . . . . 0.0 110.883 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.2 mp 40.43 41.17 0.99 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.9 ttt-85 -70.59 136.87 49.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.694 HD11 ' O ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -87.36 128.55 35.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.85 HD12 HG23 ' A' ' 75' ' ' THR . 0.2 OUTLIER -127.2 -16.01 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.113 179.888 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.694 ' O ' HD11 ' A' ' 81' ' ' LEU . 2.3 tp -132.22 124.88 29.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.521 ' N ' HD12 ' A' ' 83' ' ' LEU . 2.7 t-20 -157.88 105.57 1.99 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.842 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.533 HG21 ' CB ' ' A' ' 105' ' ' ALA . 4.8 t -143.68 141.51 30.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.46 ' HD2' ' NE2' ' A' ' 68' ' ' GLN . 13.6 ttpt -84.75 117.03 23.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.808 HD23 ' CE ' ' A' ' 91' ' ' MET . 8.2 mt -56.51 148.06 20.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.548 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 40.5 p90 -129.93 161.04 31.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.29 -46.13 72.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.112 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.548 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 40.9 mm-40 -83.35 32.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.962 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.808 ' CE ' HD23 ' A' ' 87' ' ' LEU . 4.3 tpp -73.99 141.08 45.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -101.05 105.82 17.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.502 HG22 ' HG3' ' A' ' 91' ' ' MET . 2.1 tt -145.64 119.85 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -138.64 143.63 39.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.455 ' HE3' HG22 ' A' ' 125' ' ' THR . 5.9 tptm -76.9 94.03 3.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.45 -33.72 76.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.075 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.2 t -153.28 174.48 14.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -81.67 -5.72 58.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -128.36 -6.93 5.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.2 m -133.24 149.76 51.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.783 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.44 ' CD1' HD21 ' A' ' 128' ' ' LEU . 5.5 mt -135.44 147.96 28.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.123 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -114.95 100.67 8.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.516 ' C ' HD12 ' A' ' 103' ' ' ILE . 1.1 pp -117.75 141.55 36.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 19.5 p -99.29 114.59 27.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.104 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.533 ' CB ' HG21 ' A' ' 85' ' ' THR . . . -131.16 157.44 43.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.686 ' HG3' HG22 ' A' ' 113' ' ' VAL . 23.8 mtt -89.38 151.92 21.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -88.55 159.01 18.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 72.4 p -78.72 -42.68 27.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -96.31 -50.2 4.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -67.23 -17.37 64.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 40.67 45.25 1.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -134.64 142.22 13.65 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.512 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.686 HG22 ' HG3' ' A' ' 106' ' ' MET . 58.5 t -74.2 103.59 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.93 0.395 . . . . 0.0 111.093 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.582 ' HG3' ' CE2' ' A' ' 116' ' ' PHE . 1.2 ptpm? -112.12 162.48 15.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 86.6 t -83.44 107.39 14.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.146 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.909 ' CD1' HD21 ' A' ' 36' ' ' LEU . 46.3 m-85 -95.72 140.57 30.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.814 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.527 HD23 ' HD2' ' A' ' 37' ' ' PHE . 3.2 tp -109.06 158.38 17.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.951 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.661 HG21 HD11 ' A' ' 128' ' ' LEU . 16.8 mt -137.96 105.06 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 48.3 t -99.9 109.4 21.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.864 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -140.14 173.63 11.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 6.6 t -52.53 148.3 7.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.3 p -40.73 -39.47 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 14.3 tptp -82.91 -60.05 2.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 127' ' ' GLN . 1.0 OUTLIER -41.49 -56.54 2.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.842 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.455 HG22 ' HE3' ' A' ' 95' ' ' LYS . 99.8 m -41.03 -34.53 0.43 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -80.51 -30.36 40.75 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.525 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 124' ' ' ASP . 15.8 mt-30 -56.61 -69.21 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.815 0.341 . . . . 0.0 110.936 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.661 HD11 HG21 ' A' ' 118' ' ' ILE . 0.8 OUTLIER -55.72 -34.09 64.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.448 ' N ' ' HG ' ' A' ' 128' ' ' LEU . 38.0 t80 -61.11 -62.77 1.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -45.93 -25.28 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.074 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.716 ' HB1' ' CD2' ' A' ' 56' ' ' LEU . . . -79.56 -63.6 1.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.108 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.591 ' O ' HD12 ' A' ' 136' ' ' ILE . 10.4 mp -41.67 -64.61 0.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -37.95 -62.05 0.59 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.815 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.5 ' O ' ' N ' ' A' ' 136' ' ' ILE . 47.9 t60 -49.02 -59.81 3.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.646 ' HE ' HD21 ' A' ' 56' ' ' LEU . 12.9 mmt180 -36.85 -29.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.591 HD12 ' O ' ' A' ' 132' ' ' LEU . 4.1 mp -91.18 -46.88 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.075 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.44 ' HA ' ' CG ' ' A' ' 140' ' ' ARG . 66.9 mt -47.2 -29.8 2.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -75.34 -35.04 61.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.8 mt -75.17 -47.04 30.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.44 ' CG ' ' HA ' ' A' ' 137' ' ' LEU . 6.2 ptm180 -64.24 -13.36 48.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.817 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 35.7 t -82.53 -24.06 34.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 25.8 mtp85 -81.22 -50.15 9.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.588 HG23 ' N ' ' A' ' 144' ' ' GLU . 27.4 m -60.84 -51.53 72.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.151 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . 0.588 ' N ' HG23 ' A' ' 143' ' ' VAL . 5.8 mm-40 -136.78 122.47 19.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 11.2 t -117.67 119.86 36.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.911 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -54.08 148.49 18.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.488 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.63 -46.4 1.29 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.773 2.315 . . . . 0.0 112.353 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 43.6 m -53.5 112.94 1.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.81 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 48.7 m -157.25 136.89 12.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.498 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.6 t -122.89 48.11 1.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.898 0.38 . . . . 0.0 110.841 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.0 p -94.55 172.37 8.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.794 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.22 139.89 2.77 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.444 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.2 t -55.32 178.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.892 0.377 . . . . 0.0 110.868 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.7 t -141.15 115.56 9.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.819 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.98 140.15 3.53 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.491 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.8 -54.56 1.0 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.814 0.34 . . . . 0.0 111.119 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -174.31 178.99 1.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.085 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.83 129.25 35.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -152.04 115.01 4.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 16.4 t -53.09 131.69 36.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.2 mt -81.94 136.3 35.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.863 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.552 HD23 ' N ' ' A' ' 15' ' ' GLU . 10.1 tt -54.94 152.97 6.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.552 ' N ' HD23 ' A' ' 14' ' ' LEU . 5.5 mm-40 57.54 47.91 15.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.45 ' O ' HG22 ' A' ' 19' ' ' VAL . 1.3 tppm? -65.49 160.92 21.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.415 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 4.1 m -44.53 -23.12 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.709 ' HG3' HG13 ' A' ' 19' ' ' VAL . 11.5 pt-20 -52.28 -37.85 56.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.709 HG13 ' HG3' ' A' ' 18' ' ' GLU . 35.9 m -98.75 -31.25 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.175 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.693 HG22 ' H ' ' A' ' 22' ' ' GLY . 4.3 mt -54.07 143.8 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.092 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.43 ' O ' HG22 ' A' ' 21' ' ' THR . 99.2 m -59.74 -14.82 16.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.171 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.693 ' H ' HG22 ' A' ' 20' ' ' ILE . . . 116.42 -27.11 8.22 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 22' ' ' GLY . 9.9 pt-20 35.08 46.04 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 110.868 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -98.91 -17.26 18.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -91.02 8.23 36.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -50.92 -176.27 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -90.06 147.53 23.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.791 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -124.54 80.65 1.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 66.9 t -39.28 -69.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.144 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.4 pp -144.03 134.68 24.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.867 ' CG ' HD11 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -124.89 129.44 50.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.925 179.893 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.99 123.48 6.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -45.34 134.73 6.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.638 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.8 t -154.31 173.57 15.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.541 ' HD3' ' CZ ' ' A' ' 37' ' ' PHE . 36.6 tttt -114.4 155.25 26.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.4 tp -123.43 137.57 54.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.953 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.541 ' CZ ' ' HD3' ' A' ' 35' ' ' LYS . 59.4 m-85 -130.35 163.59 26.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.697 ' CG1' ' CE1' ' A' ' 116' ' ' PHE . 2.8 m -150.88 152.34 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -100.24 117.51 34.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.504 ' O ' ' N ' ' A' ' 42' ' ' THR . 16.6 t0 -110.25 103.86 12.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.839 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 40' ' ' ASP . 1.7 ttmm -34.38 -32.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.504 ' N ' ' O ' ' A' ' 40' ' ' ASP . 89.3 m -57.1 -49.92 74.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 40' ' ' ASP . 7.5 t -90.93 -26.13 19.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 41' ' ' LYS . 1.6 mm-40 70.3 31.71 3.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.8 m -160.21 -178.03 6.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.781 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 60.7 m95 -76.17 142.8 41.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.964 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 86.0 t -130.22 147.53 33.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.111 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -72.48 95.02 1.73 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.768 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -70.71 -59.97 2.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -170.4 120.29 0.85 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.493 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.09 145.75 29.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.859 0.361 . . . . 0.0 110.854 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.547 ' N ' ' CE ' ' A' ' 73' ' ' MET . . . 174.45 -125.92 1.15 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.525 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.867 HD11 ' CG ' ' A' ' 31' ' ' GLN . 29.0 tp -111.22 115.99 30.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.86 0.362 . . . . 0.0 110.903 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.5 HD12 ' O ' ' A' ' 72' ' ' VAL . 4.7 tp -102.67 137.68 40.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -151.19 152.03 32.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.029 HD22 ' HB1' ' A' ' 131' ' ' ALA . 2.7 tp -102.62 109.51 21.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.7 p-10 -92.4 154.9 18.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -122.75 137.1 55.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.519 ' O ' ' N ' ' A' ' 68' ' ' GLN . 12.3 ptt? -146.64 153.21 40.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.32 150.69 36.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.085 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.516 ' HB3' ' N ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -86.24 154.69 21.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.863 -179.76 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.501 HG23 ' N ' ' A' ' 63' ' ' ASP . 5.9 t -99.22 -48.3 4.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.145 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.501 ' N ' HG23 ' A' ' 62' ' ' THR . 3.7 t70 -87.84 -13.99 40.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.429 ' HB3' HG22 ' A' ' 66' ' ' THR . 5.7 m-20 -116.56 -18.39 10.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.817 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.516 ' N ' ' HB3' ' A' ' 61' ' ' SER . . . 56.32 11.22 4.77 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.51 HG21 ' HD2' ' A' ' 142' ' ' ARG . 7.4 t -99.94 175.01 5.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.783 0.325 . . . . 0.0 111.123 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.484 ' C ' HD13 ' A' ' 67' ' ' LEU . 2.0 tm? -64.49 99.99 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.893 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.519 ' N ' ' O ' ' A' ' 59' ' ' MET . 4.1 mm-40 -90.8 170.33 10.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.491 ' CB ' ' HG2' ' A' ' 135' ' ' ARG . 7.4 m -159.07 170.01 22.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.471 ' HB3' ' HE2' ' A' ' 59' ' ' MET . 5.0 ptp180 -154.84 153.69 31.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.008 HD21 HD21 ' A' ' 132' ' ' LEU . 8.5 mt -92.33 116.71 29.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.5 ' O ' HD12 ' A' ' 54' ' ' LEU . 2.3 t -118.93 147.15 22.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.206 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.547 ' CE ' ' N ' ' A' ' 52' ' ' GLY . 12.3 tpt -149.58 105.8 3.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.595 ' HD2' HD22 ' A' ' 79' ' ' LEU . 82.2 mtm180 -96.69 132.21 42.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.6 p -68.31 162.09 25.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -90.26 92.77 9.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 167.64 -95.78 0.12 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.448 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 79' ' ' LEU . 3.5 m -102.07 39.8 1.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.93 0.395 . . . . 0.0 110.876 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.595 HD22 ' HD2' ' A' ' 74' ' ' ARG . 29.9 mt 37.81 53.56 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.954 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -90.34 114.09 26.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.846 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.673 HD13 ' N ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -77.72 137.0 38.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.683 HD13 ' H ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -130.09 -29.69 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.126 179.844 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.605 ' O ' HD11 ' A' ' 81' ' ' LEU . 6.9 tp -119.51 120.64 37.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -152.21 105.34 3.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.465 HG21 ' HB1' ' A' ' 105' ' ' ALA . 11.2 t -142.33 148.86 38.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.103 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.468 ' HD3' ' NE2' ' A' ' 68' ' ' GLN . 29.4 ttmt -93.53 119.91 33.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.545 HD23 ' HE2' ' A' ' 91' ' ' MET . 20.5 mt -56.84 141.59 44.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.931 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.552 ' CD1' ' C ' ' A' ' 90' ' ' GLN . 41.9 p90 -123.54 162.42 22.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.37 -46.13 76.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.083 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.552 ' C ' ' CD1' ' A' ' 88' ' ' TRP . 74.9 mm-40 -83.14 32.58 0.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.545 ' HE2' HD23 ' A' ' 87' ' ' LEU . 1.8 tpp -68.02 143.41 55.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 18.4 mp0 -109.41 109.87 20.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.0 tt -141.73 111.34 2.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.201 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -120.61 144.4 48.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.437 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 15.3 tptm -86.92 97.06 10.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.66 -39.01 88.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.0 t -154.17 -178.66 7.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -78.84 -27.82 44.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -108.74 -6.99 15.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 54.3 p -130.76 136.72 49.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.815 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.484 HD11 ' CG2' ' A' ' 125' ' ' THR . 13.6 mt -125.92 160.25 33.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.204 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.573 ' CD2' HD12 ' A' ' 117' ' ' LEU . 7.8 m-70 -126.24 110.32 13.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.707 HD13 HD13 ' A' ' 71' ' ' LEU . 1.3 pp -128.7 143.56 40.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.182 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 29.5 p -97.39 120.26 37.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.56 ' HB3' ' CD2' ' A' ' 116' ' ' PHE . . . -131.74 165.6 23.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.054 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.724 ' HG3' HG22 ' A' ' 113' ' ' VAL . 5.3 mtt -96.99 161.76 13.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -94.1 155.03 17.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.984 0.421 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 43.4 p -86.46 -33.19 20.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -101.25 -47.66 4.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 111' ' ' GLN . 1.1 m-20 -80.56 -4.6 54.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.938 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 110' ' ' ASP . 13.6 mt-30 34.76 50.07 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.938 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -136.59 146.81 18.8 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.494 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.724 HG22 ' HG3' ' A' ' 106' ' ' MET . 40.4 t -79.43 134.26 28.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.899 0.38 . . . . 0.0 111.206 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.439 ' HD2' ' CZ ' ' A' ' 116' ' ' PHE . 10.1 ptpt -143.95 162.67 35.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 89.0 t -84.11 108.49 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.697 ' CE1' ' CG1' ' A' ' 38' ' ' VAL . 56.6 m-85 -95.93 171.0 8.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.573 HD12 ' CD2' ' A' ' 102' ' ' HIS . 4.9 tp -134.02 154.73 50.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.429 HD12 ' HB ' ' A' ' 101' ' ' ILE . 9.8 mt -131.34 96.26 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.184 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 33.7 t -93.79 114.0 26.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.638 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -148.3 169.1 20.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 123' ' ' LYS . 3.5 t -53.34 140.47 27.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.809 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 121' ' ' SER . 4.2 p -37.79 -31.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.863 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 121' ' ' SER . 13.2 tptm -83.65 -59.4 2.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.896 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.6 -54.17 15.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.861 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.484 ' CG2' HD11 ' A' ' 101' ' ' ILE . 24.8 m -42.37 -57.03 2.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.186 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -46.46 -44.9 16.58 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.523 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -60.71 -60.35 3.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.88 0.371 . . . . 0.0 110.916 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.594 ' CD1' HD13 ' A' ' 132' ' ' LEU . 0.2 OUTLIER -50.64 -38.88 48.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.437 ' CZ ' ' HB2' ' A' ' 95' ' ' LYS . 32.6 t80 -65.9 -53.49 38.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.03 -49.25 69.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.149 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 1.029 ' HB1' HD22 ' A' ' 56' ' ' LEU . . . -49.96 -67.25 0.28 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.113 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 1.008 HD21 HD21 ' A' ' 71' ' ' LEU . 9.2 mp -46.81 -66.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.51 ' NE2' HD21 ' A' ' 137' ' ' LEU . 11.6 t-160 -32.8 -58.52 0.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.518 ' CD2' HH21 ' A' ' 135' ' ' ARG . 2.0 t60 -53.09 -61.69 2.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.661 ' HD3' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -37.02 -33.26 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.502 ' N ' HD13 ' A' ' 136' ' ' ILE . 2.7 mm -76.58 -51.53 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.099 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.51 HD21 ' NE2' ' A' ' 133' ' ' HIS . 20.2 mt -47.46 -37.3 11.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.75 -34.18 75.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.0 mt -82.08 -64.89 1.09 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 140' ' ' ARG . 1.3 ptm85 -45.83 -30.59 1.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.42 ' HB2' ' O ' ' A' ' 137' ' ' LEU . 37.4 t -63.56 -39.15 93.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . 0.51 ' HD2' HG21 ' A' ' 66' ' ' THR . 10.2 mtp-105 -65.37 -42.09 93.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 63.4 t -52.91 -56.84 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.175 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -88.84 -179.61 6.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.936 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 81.1 p -170.22 110.55 0.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -102.71 150.63 17.98 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.489 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 103.92 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.653 2.236 . . . . 0.0 112.371 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 54.0 p -61.47 96.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.819 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 47.6 m -89.26 92.75 9.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.432 -179.995 . . . . . . . . 0 0 . 1 stop_ save_