data_2cte_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 2cte _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 ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.755 0.312 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 m -146.52 130.37 17.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.16 175.84 5.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.163 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -139.13 159.48 42.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.159 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.45 ' CG1' ' HB ' ' A' ' 62' ' ' ILE . 4.3 p -133.08 109.52 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.99 109.74 5.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.163 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.7 pt -141.36 157.14 66.72 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.68 0.753 . . . . 0.0 111.091 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.479 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 54.2 Cg_endo -69.69 141.32 45.18 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.705 2.27 . . . . 0.0 112.37 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.4 mtmm -57.01 -12.05 1.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -81.53 -22.24 38.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.479 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 66.1 m170 -93.55 -22.97 18.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.41 ' ND1' HG21 ' A' ' 52' ' ' ILE . 8.2 m170 -49.58 -34.87 18.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.823 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -69.0 -41.22 78.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -62.66 -11.35 16.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.918 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 41.8 t -100.69 -27.14 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.069 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 81.5 mt -82.64 -40.96 17.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.08 164.06 13.29 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.46 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.1 ptpt -51.4 -52.28 47.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.79 0.329 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -110.81 -25.39 9.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 133.68 47.52 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.542 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -114.34 -37.01 4.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.958 0.409 . . . . 0.0 110.961 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.53 -65.66 0.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 tp -46.0 -45.58 15.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -53.42 -58.28 7.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.896 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -52.76 -43.17 65.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.5 mt -61.69 -55.6 28.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -48.78 -37.72 19.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.3 mt -78.61 -66.6 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -42.07 -40.57 2.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.9 p -94.39 -17.89 22.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.188 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 57.39 33.31 23.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.08 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 66.9 p -108.24 174.79 5.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -108.85 82.05 1.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 89.4 mt -71.23 137.86 22.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.142 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -135.72 113.7 11.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.84 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.41 HG21 ' ND1' ' A' ' 28' ' ' HIS . 53.4 mt -103.57 135.31 19.39 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.667 0.746 . . . . 0.0 111.045 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.484 ' CG ' ' O ' ' A' ' 59' ' ' SER . 53.3 Cg_endo -69.83 156.13 63.95 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.628 2.219 . . . . 0.0 112.354 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -60.81 156.16 47.75 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.543 0.687 . . . . 0.0 110.92 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -2.49 10.24 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.729 2.286 . . . . 0.0 112.273 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -116.26 -8.46 11.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.43 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 2.1 t70 -82.27 141.3 46.02 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.566 0.698 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.43 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.5 Cg_endo -69.73 3.38 2.79 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.666 2.244 . . . . 0.0 112.355 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.484 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 24.0 m -94.81 115.98 28.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.825 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 -112.34 12.26 20.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -103.97 123.11 46.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.453 ' CG2' ' N ' ' A' ' 63' ' ' LYS . 53.0 mt -78.56 154.68 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.453 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 33.7 ttmt -115.75 131.48 56.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.1 pt -127.37 120.3 54.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 50.9 m -122.98 145.88 48.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 152.05 -150.24 22.07 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.497 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 76.9 p -79.2 143.99 34.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 0.0 111.21 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? -40.9 -39.21 1.09 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -76.12 -42.28 47.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -59.58 -60.51 8.63 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.512 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 72.9 mt -51.78 -39.06 23.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.735 0.303 . . . . 0.0 111.111 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -60.19 -49.24 78.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.838 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -55.95 -44.01 78.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.22 -38.25 72.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.2 ttp-105 -69.03 -33.41 73.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -75.07 -32.62 61.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -80.02 -48.42 13.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.7 p -59.06 -33.42 50.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.7 mt -78.2 -45.96 21.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.8 mt -54.12 -42.07 69.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 19.4 mt -70.66 -52.86 25.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.181 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.3 m -58.1 -32.39 68.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.7 -51.23 43.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.081 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -47.75 -42.91 26.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.412 ' HB2' ' NE2' ' A' ' 27' ' ' HIS . 70.0 mm-40 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.772 0.32 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.2 p -148.98 131.86 16.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.47 175.74 7.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.119 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.4 p -139.18 151.47 46.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.181 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.7 p -126.31 102.27 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.2 114.02 2.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.487 HD12 ' CD2' ' A' ' 28' ' ' HIS . 8.6 pt -140.96 155.49 68.85 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.656 0.741 . . . . 0.0 111.112 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.516 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.9 Cg_endo -69.76 146.19 59.46 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.648 2.232 . . . . 0.0 112.398 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.2 tptp -57.25 -12.25 2.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -81.42 -22.99 37.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.847 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.563 ' CD2' ' HG3' ' A' ' 85' ' ' GLN . 62.0 m170 -91.43 -30.92 16.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.487 ' CD2' HD12 ' A' ' 23' ' ' ILE . 8.9 m-70 -47.62 -44.88 27.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 29' ' ' ARG . 4.6 ptp180 -63.06 -40.11 96.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -62.6 -30.06 71.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.6 t -78.23 -37.9 22.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.409 ' C ' ' HB3' ' A' ' 38' ' ' LYS . 77.5 mt -71.0 -39.34 74.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 34' ' ' LYS . . . 113.3 140.85 7.8 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 33' ' ' GLY . 22.5 tttt -34.73 -48.05 0.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.739 0.304 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -110.53 -31.04 7.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 132.32 46.3 0.12 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -120.86 -6.24 9.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.907 0.384 . . . . 0.0 110.901 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.409 ' HB3' ' C ' ' A' ' 32' ' ' ILE . 14.2 tptp -84.31 -24.8 29.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.6 tp -85.7 -46.86 10.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.401 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 6.0 pt20 -60.86 -42.75 98.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.972 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.401 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 4.3 t70 -66.44 -39.68 89.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.18 -54.37 30.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -48.2 -28.48 3.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.4 mt -88.29 -60.85 1.85 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -47.54 -34.73 7.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.7 p -99.45 -20.58 16.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.165 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 61.94 35.33 16.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.046 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 74.9 p -115.17 179.24 4.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -111.12 99.43 8.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 80.1 mt -88.25 116.07 29.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.158 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -115.15 107.82 15.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.459 ' CG2' ' HD2' ' A' ' 53' ' ' PRO . 53.9 mt -98.55 138.34 20.76 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.652 0.739 . . . . 0.0 111.087 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.459 ' HD2' ' CG2' ' A' ' 52' ' ' ILE . 54.1 Cg_endo -69.77 157.2 61.18 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.687 2.258 . . . . 0.0 112.41 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 38.8 mtt-85 -53.68 160.27 2.12 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.61 0.719 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.89 -7.64 21.6 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.653 2.235 . . . . 0.0 112.267 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -126.95 19.17 7.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.414 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 2.6 t70 -92.33 141.07 24.5 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.597 0.713 . . . . 0.0 110.825 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.414 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.8 Cg_endo -69.81 1.81 4.13 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.673 2.249 . . . . 0.0 112.335 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.7 m -101.98 120.47 40.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -115.85 28.07 8.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -114.41 118.0 32.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.465 ' CD1' HD11 ' A' ' 23' ' ' ILE . 40.4 mt -74.66 149.25 7.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -110.84 136.3 50.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.897 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -131.0 124.02 55.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.184 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.442 HG22 ' N ' ' A' ' 66' ' ' GLY . 33.5 m -129.85 142.35 50.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.175 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.442 ' N ' HG22 ' A' ' 65' ' ' THR . . . 154.77 -150.67 22.28 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.485 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 p -76.78 143.33 39.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.838 0.352 . . . . 0.0 111.166 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -41.08 -34.44 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.856 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -79.91 -44.86 19.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -57.04 -53.83 41.58 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 76.5 mt -56.39 -42.12 73.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 111.178 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -58.37 -46.71 85.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -56.27 -51.83 66.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.837 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.15 -37.07 84.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.107 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -69.65 -30.84 68.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 59.6 t60 -76.77 -30.83 56.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -81.15 -46.22 15.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 8.4 p -62.65 -31.95 53.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.075 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 15.7 mt -79.88 -41.49 26.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.0 mt -59.37 -41.12 88.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.92 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 22.1 mt -68.47 -50.94 51.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.198 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 24.1 p -57.91 -41.86 83.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.1 -54.06 51.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -46.29 -46.95 18.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.563 ' HG3' ' CD2' ' A' ' 27' ' ' HIS . 51.9 mm-40 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.959 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.842 0.353 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.2 p -147.26 123.8 11.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.31 170.13 10.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.02 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 p -139.13 148.26 43.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.183 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.3 p -123.79 106.94 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.73 117.6 7.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.466 HD11 ' CD1' ' A' ' 62' ' ' ILE . 5.3 pt -144.39 156.65 57.12 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.626 0.727 . . . . 0.0 111.133 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.515 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 54.0 Cg_endo -69.74 151.27 69.14 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.725 2.283 . . . . 0.0 112.319 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.2 tptp -58.46 -17.82 23.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.515 ' HG3' ' CD2' ' A' ' 27' ' ' HIS . 2.5 pt-20 -78.52 -21.15 49.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.531 ' NE2' ' CB ' ' A' ' 85' ' ' GLN . 66.6 m170 -95.07 -11.52 28.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.459 ' CD2' HD12 ' A' ' 23' ' ' ILE . 7.2 m170 -70.42 -33.03 70.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -76.85 -28.87 55.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -74.11 -9.3 58.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 62.8 t -103.02 -26.03 3.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 59.8 mt -83.76 -39.67 15.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.49 160.84 11.87 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.482 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 35' ' ' ASN . 27.3 pttt -55.11 -44.88 75.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.686 0.279 . . . . 0.0 110.837 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.4 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 48.3 m-20 -111.07 -26.88 9.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 127.1 50.42 0.16 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.486 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -123.37 -24.83 4.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.958 0.408 . . . . 0.0 110.928 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -56.27 -55.4 33.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.7 tp -54.16 -42.82 70.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -55.05 -62.21 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -49.06 -36.43 18.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.4 mt -67.95 -56.41 9.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -49.05 -25.53 2.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.6 mt -89.0 -63.98 1.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -46.25 -37.46 7.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.4 p -97.7 -15.61 20.3 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.128 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 54.88 33.08 19.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.077 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 64.0 p -108.51 173.99 6.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.152 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -110.07 82.67 1.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 67.8 mt -72.2 135.59 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -131.92 107.71 8.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.46 ' CG2' ' HD2' ' A' ' 53' ' ' PRO . 43.6 mt -96.77 138.13 21.38 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.578 0.704 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.46 ' HD2' ' CG2' ' A' ' 52' ' ' ILE . 53.2 Cg_endo -69.87 160.3 50.18 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.641 2.227 . . . . 0.0 112.331 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -72.8 156.85 89.56 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.592 0.711 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -15.63 37.12 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.655 2.236 . . . . 0.0 112.33 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -95.06 -16.43 22.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.844 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.425 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 2.5 t70 -87.52 140.62 31.87 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.617 0.722 . . . . 0.0 110.883 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.425 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 54.4 Cg_endo -69.68 3.12 2.92 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 2.262 . . . . 0.0 112.377 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.5 m -88.54 123.15 32.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -126.06 26.97 6.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -109.77 118.53 36.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.961 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.466 ' CD1' HD11 ' A' ' 23' ' ' ILE . 46.6 mt -73.95 148.33 8.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.977 0.418 . . . . 0.0 111.115 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.5 tttt -115.71 134.93 54.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.945 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.433 ' CD1' HG21 ' A' ' 71' ' ' ILE . 1.1 pt -127.84 126.89 67.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.136 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.6 m -129.29 138.33 51.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 157.59 -152.91 24.18 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.427 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 62.8 p -81.42 144.11 31.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.883 0.373 . . . . 0.0 111.185 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -40.68 -34.36 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -77.28 -44.03 31.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -61.93 -58.31 13.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.517 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.433 HG21 ' CD1' ' A' ' 64' ' ' ILE . 68.2 mt -51.59 -41.86 28.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.797 0.332 . . . . 0.0 111.141 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -54.34 -48.94 70.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -54.74 -56.77 15.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.004 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.26 -37.09 79.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.047 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.8 ttp85 -68.58 -36.56 78.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -70.26 -28.82 65.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -82.84 -50.15 8.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.1 p -60.08 -29.97 44.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.188 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.8 mt -81.74 -35.45 29.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.7 mt -66.83 -46.55 74.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 40.9 mt -58.54 -58.76 5.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.178 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 64.1 p -52.82 -49.53 65.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -47.73 -54.7 11.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.082 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -50.77 -44.18 58.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.531 ' CB ' ' NE2' ' A' ' 27' ' ' HIS . 43.3 mm-40 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.91 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.808 0.337 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.6 p -149.66 124.41 9.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.844 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -123.8 169.68 11.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.106 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 p -139.05 160.55 39.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.7 p -134.19 111.85 15.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.01 112.2 5.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.103 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.8 pt -142.21 156.4 64.52 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.643 0.735 . . . . 0.0 111.14 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 140.76 43.37 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.645 2.23 . . . . 0.0 112.357 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.4 mmmm -53.57 -15.27 1.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.438 ' O ' ' NH1' ' A' ' 29' ' ' ARG . 2.9 pt-20 -75.63 -29.22 59.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.494 ' CE1' ' HB2' ' A' ' 85' ' ' GLN . 64.7 m170 -91.45 -9.76 43.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.777 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -64.86 -38.58 91.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.438 ' NH1' ' O ' ' A' ' 26' ' ' GLU . 3.5 ptp85 -73.01 -30.04 63.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -68.64 -19.71 64.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 88.9 t -93.18 -33.12 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.414 ' C ' ' HB3' ' A' ' 38' ' ' LYS . 92.3 mt -71.38 -43.24 73.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 34' ' ' LYS . . . 124.46 140.33 5.49 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.52 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 33' ' ' GLY . 44.5 tttm -37.93 -45.42 0.87 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.839 0.352 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -111.34 -28.73 8.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.2 44.02 0.26 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.441 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -126.06 -6.86 6.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.913 0.387 . . . . 0.0 110.879 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.414 ' HB3' ' C ' ' A' ' 32' ' ' ILE . 21.9 tptm -75.2 -48.63 22.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.7 tp -57.42 -46.77 83.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -49.28 -61.24 2.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -48.05 -43.36 30.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.1 mt -61.71 -53.45 55.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -49.07 -32.94 10.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 47' ' ' ALA . 28.4 mt -83.62 -66.9 0.84 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -40.11 -36.67 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 29.2 p -100.6 -16.52 17.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.167 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 44' ' ' LEU . . . 57.43 35.42 25.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 64.3 p -110.04 175.97 5.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.182 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -113.1 77.15 1.02 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 70.6 mt -66.61 126.48 26.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -123.73 114.95 20.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.466 ' CG2' ' HD2' ' A' ' 53' ' ' PRO . 38.0 mt -102.24 138.25 19.67 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.686 0.755 . . . . 0.0 111.122 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.466 ' HD2' ' CG2' ' A' ' 52' ' ' ILE . 53.4 Cg_endo -69.81 154.92 66.98 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.714 2.276 . . . . 0.0 112.318 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 35.2 mtp180 -67.53 158.8 81.27 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.559 0.695 . . . . 0.0 110.943 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -19.0 36.89 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.705 2.27 . . . . 0.0 112.352 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -90.33 -27.04 19.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.805 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.422 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 2.1 t70 -77.16 140.99 66.39 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.631 0.729 . . . . 0.0 110.817 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.422 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.9 Cg_endo -69.77 -0.11 6.45 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.73 2.287 . . . . 0.0 112.284 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.8 m -80.97 122.9 27.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -124.82 21.97 8.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -109.17 120.96 44.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 51.9 mt -73.99 149.94 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.17 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.8 tttm -114.87 136.79 52.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.1 pt -131.28 115.15 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.16 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.9 m -118.26 133.04 56.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 166.01 -146.3 10.89 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.533 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 47.7 p -83.4 164.52 19.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.368 . . . . 0.0 111.117 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -61.32 -30.11 70.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -87.01 -42.4 13.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.946 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -61.22 -56.6 22.82 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 78.6 mt -52.25 -43.29 39.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.82 0.343 . . . . 0.0 111.134 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -51.33 -59.67 3.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -45.57 -56.08 5.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.18 -41.34 83.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.152 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.421 ' NH1' ' HB3' ' A' ' 75' ' ' ARG . 5.8 ttp-105 -65.74 -33.07 75.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.543 ' CD2' HD11 ' A' ' 80' ' ' LEU . 57.2 t60 -75.32 -34.95 61.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -74.22 -44.8 51.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.1 p -64.85 -38.36 82.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.0 mt -71.24 -38.55 71.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.543 HD11 ' CD2' ' A' ' 76' ' ' HIS . 16.4 mt -62.76 -51.0 68.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 36.3 mt -55.24 -60.8 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 24.6 p -56.39 -43.74 79.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.83 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.49 -41.8 77.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.175 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -65.65 -40.45 92.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.494 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 62.3 mm-40 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.828 0.347 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 p -149.28 124.21 9.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.86 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -119.45 170.39 9.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.044 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.1 p -139.1 149.39 44.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.115 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.5 p -124.96 109.9 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.6 115.93 8.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.5 pt -141.54 158.11 64.0 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.648 0.737 . . . . 0.0 111.129 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.523 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.2 Cg_endo -69.74 149.58 67.22 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.653 2.235 . . . . 0.0 112.381 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -11.59 10.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.432 ' O ' ' CE1' ' A' ' 30' ' ' PHE . 2.2 pt-20 -88.7 -11.72 44.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.523 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 59.2 m170 -105.7 -10.89 16.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.857 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -65.77 -47.39 75.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -62.77 -29.36 70.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.432 ' CE1' ' O ' ' A' ' 26' ' ' GLU . 23.8 m-85 -64.0 -32.72 74.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 77.5 t -79.91 -32.95 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.138 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.414 ' C ' ' HB3' ' A' ' 38' ' ' LYS . 96.8 mt -69.48 -44.93 79.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 119.13 164.16 12.65 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.443 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -39.55 -61.41 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.34 . . . . 0.0 110.935 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -111.25 -34.79 6.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 150.94 54.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.412 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -122.05 -45.49 2.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.351 . . . . 0.0 110.833 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.414 ' HB3' ' C ' ' A' ' 32' ' ' ILE . 14.4 tptm -41.58 -59.54 1.59 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.968 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.9 tp -51.24 -42.46 61.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 -54.59 -55.87 24.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -58.32 -45.99 87.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.9 mt -56.73 -55.07 38.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 47' ' ' ALA . 20.9 mt-10 -47.26 -41.38 18.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 47' ' ' ALA . 32.6 mt -74.66 -66.91 0.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.8 ttpt -42.18 -33.66 0.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 22.4 p -102.29 -15.31 16.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . 52.02 39.8 27.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.042 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 68.1 p -114.96 175.47 5.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.133 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -109.22 82.8 1.65 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.846 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 80.4 mt -72.58 128.2 35.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.165 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -127.74 110.31 12.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.96 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 36.3 mt -99.67 134.83 20.8 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.648 0.737 . . . . 0.0 111.156 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.445 ' CG ' ' O ' ' A' ' 59' ' ' SER . 53.9 Cg_endo -69.69 151.07 69.36 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.7 2.267 . . . . 0.0 112.308 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -58.18 157.62 16.28 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.629 0.728 . . . . 0.0 110.846 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.9 -17.35 36.99 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.665 2.243 . . . . 0.0 112.375 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -97.55 -22.73 16.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -69.98 139.28 87.87 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.623 0.725 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 3.2 2.89 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.717 2.278 . . . . 0.0 112.385 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.445 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 12.7 m -97.61 118.9 35.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.817 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -118.8 30.83 6.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -112.0 119.56 38.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 43.8 mt -74.56 148.1 8.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -112.89 134.24 54.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.1 pt -130.46 120.3 48.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.155 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.457 HG23 ' N ' ' A' ' 66' ' ' GLY . 30.3 m -125.3 145.81 49.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.066 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.457 ' N ' HG23 ' A' ' 65' ' ' THR . . . 153.6 -150.25 21.9 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.409 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 75.2 p -78.59 144.04 35.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.894 0.378 . . . . 0.0 111.054 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -39.41 -36.66 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -80.97 -42.58 21.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -56.6 -59.28 11.05 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 71.8 mt -53.2 -44.99 54.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.779 0.323 . . . . 0.0 111.119 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -53.12 -48.07 68.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -54.19 -57.79 9.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.805 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.18 -34.9 75.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.8 ttp85 -68.77 -35.03 76.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.544 ' CD2' HD12 ' A' ' 80' ' ' LEU . 35.6 t60 -75.15 -39.57 60.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.796 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -70.67 -49.55 46.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.8 p -58.01 -35.19 51.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.2 mt -75.47 -39.01 59.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.544 HD12 ' CD2' ' A' ' 76' ' ' HIS . 11.8 mt -62.41 -41.51 98.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 19.1 mt -65.85 -57.46 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.8 t -52.85 -45.03 67.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.45 -54.78 39.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.032 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -51.08 -43.02 60.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.464 ' CB ' ' NE2' ' A' ' 27' ' ' HIS . 76.5 mm-40 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.753 0.311 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 p -149.38 124.7 10.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -116.89 175.32 5.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.087 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -139.21 154.81 48.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.191 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.1 p -129.56 110.46 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.198 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.39 111.41 5.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.9 pt -143.15 156.38 61.46 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.677 0.751 . . . . 0.0 111.111 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.511 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.6 Cg_endo -69.7 140.89 44.03 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.82 2.347 . . . . 0.0 112.282 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.6 mtmm -55.83 -13.48 1.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.822 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -79.56 -25.0 41.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.511 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 67.4 m170 -90.77 -17.94 25.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.83 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -54.78 -36.76 65.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -64.74 -41.75 95.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -58.62 -25.06 62.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.4 t -88.28 -36.99 9.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.13 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.401 ' C ' ' HB3' ' A' ' 38' ' ' LYS . 87.9 mt -67.82 -42.22 85.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.08 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 116.19 168.1 15.04 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.49 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -58.38 -51.85 68.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.734 0.302 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -109.27 -17.37 13.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 122.02 54.52 0.22 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -128.45 -30.19 2.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.938 0.399 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.401 ' HB3' ' C ' ' A' ' 32' ' ' ILE . 13.1 tptm -56.11 -24.36 40.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.4 tp -89.29 -42.97 11.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -64.82 -40.74 95.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -70.85 -36.88 73.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.0 mt -63.8 -51.45 64.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -55.78 -31.06 62.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 42.0 mt -80.02 -63.65 1.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.7 ttpp -47.17 -38.47 11.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.2 p -95.02 -19.99 19.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.165 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 61.74 47.3 6.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.143 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 65.3 p -123.91 176.75 6.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -112.25 85.35 2.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 60.7 mt -77.92 130.16 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.064 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -127.48 109.18 11.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 81.1 mt -97.55 134.32 22.65 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.645 0.736 . . . . 0.0 111.162 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.466 ' CG ' ' O ' ' A' ' 59' ' ' SER . 53.7 Cg_endo -69.72 152.57 69.52 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.726 2.284 . . . . 0.0 112.359 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -60.78 156.97 42.29 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.516 0.674 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -2.39 10.14 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.687 2.258 . . . . 0.0 112.306 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -116.03 -6.21 11.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.426 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.4 t70 -87.0 141.11 32.98 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.558 0.694 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.426 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 54.5 Cg_endo -69.69 2.9 3.08 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.667 2.245 . . . . 0.0 112.392 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.466 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 36.4 m -92.23 120.35 32.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.776 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -117.45 5.69 12.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -98.63 119.12 36.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.409 ' CG2' ' N ' ' A' ' 63' ' ' LYS . 43.9 mt -76.83 151.98 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.178 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.409 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 26.2 ttpt -114.68 129.5 56.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.861 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.464 ' CD1' HG21 ' A' ' 71' ' ' ILE . 1.1 pt -123.33 116.98 50.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.138 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.437 HG23 ' N ' ' A' ' 66' ' ' GLY . 60.6 m -118.01 139.17 51.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.437 ' N ' HG23 ' A' ' 65' ' ' THR . . . 160.09 -155.93 27.11 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.527 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 69' ' ' GLU . 34.7 p -76.75 139.64 40.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.909 0.385 . . . . 0.0 111.127 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 67' ' ' THR . 8.0 tmtt? -36.45 -30.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 67' ' ' THR . 18.5 mm-40 -83.43 -46.68 12.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 67' ' ' THR . . . -57.12 -60.81 8.35 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.432 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.464 HG21 ' CD1' ' A' ' 64' ' ' ILE . 73.6 mt -49.48 -42.72 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 0.0 111.088 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -55.53 -52.47 63.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.962 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 30.3 mttp -51.09 -55.0 19.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.62 -36.53 83.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.1 ttp85 -67.47 -33.12 74.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -74.07 -41.79 61.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -67.8 -51.71 45.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.5 p -56.57 -34.13 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.082 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.1 mt -77.21 -41.73 40.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.1 mt -60.28 -43.55 96.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 25.1 mt -66.3 -54.99 20.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.4 t -53.85 -47.43 71.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.55 -47.08 76.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.095 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -52.37 -41.55 63.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.417 ' HB2' ' NE2' ' A' ' 27' ' ' HIS . 50.6 mm-40 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.837 0.351 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.0 p -137.05 126.21 24.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -118.94 174.1 6.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.179 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 p -139.09 157.7 45.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.125 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.7 p -132.73 105.57 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.79 114.98 4.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.079 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.412 HD13 ' CD1' ' A' ' 62' ' ' ILE . 10.3 pt -144.55 155.31 56.95 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.653 0.739 . . . . 0.0 111.114 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.447 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.1 Cg_endo -69.84 145.28 56.23 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.7 2.266 . . . . 0.0 112.319 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -57.74 -11.9 2.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.401 ' OE2' ' O ' ' A' ' 26' ' ' GLU . 3.1 tp10 -80.45 -31.59 37.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.475 ' NE2' ' CB ' ' A' ' 85' ' ' GLN . 64.9 m170 -86.65 -16.61 36.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -56.69 -54.54 44.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -50.08 -42.39 49.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -57.38 -31.44 65.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.826 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.1 t -78.4 -36.55 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.173 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 41.9 mt -72.52 -41.36 63.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.116 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.2 148.46 8.8 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.531 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 35' ' ' ASN . 37.1 pttt -47.31 -43.07 22.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.717 0.294 . . . . 0.0 110.871 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.417 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 1.0 OUTLIER -109.8 -25.85 10.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.885 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 123.18 51.0 0.21 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.53 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -126.51 -28.11 3.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.892 0.377 . . . . 0.0 110.91 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.2 tptt -56.17 -26.41 50.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.7 tp -87.65 -43.87 11.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -63.69 -38.74 92.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -72.51 -33.61 67.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.6 mt -70.84 -51.32 27.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -52.35 -29.38 23.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.1 mt -83.89 -65.89 0.96 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.969 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.7 ttpp -45.29 -35.8 3.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 27.8 p -99.54 -11.2 21.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.133 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 50.58 42.91 27.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 53.7 p -116.39 -178.82 3.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.21 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.3 tppt? -116.21 82.38 1.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 73.7 mt -75.37 119.99 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.104 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -121.6 107.07 11.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.468 ' CG2' ' HD2' ' A' ' 53' ' ' PRO . 56.1 mt -91.68 138.64 25.01 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.556 0.693 . . . . 0.0 111.17 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.468 ' HD2' ' CG2' ' A' ' 52' ' ' ILE . 52.9 Cg_endo -69.87 145.89 57.91 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.686 2.257 . . . . 0.0 112.315 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 29.1 mtt85 -57.36 156.78 14.5 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.565 0.698 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.67 -13.03 34.29 Favored 'Trans proline' 0 C--O 1.231 0.125 0 C-N-CA 122.672 2.248 . . . . 0.0 112.385 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -97.26 -24.51 15.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.426 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.4 t70 -77.7 141.12 64.14 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.574 0.702 . . . . 0.0 110.847 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.426 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 54.1 Cg_endo -69.72 0.35 5.75 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.702 2.268 . . . . 0.0 112.32 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.467 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 16.8 m -83.23 120.54 25.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.839 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -121.54 21.23 10.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -108.62 121.78 45.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.412 ' CD1' HD13 ' A' ' 23' ' ' ILE . 53.4 mt -75.26 149.28 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -113.92 132.51 55.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.1 pt -127.61 114.94 37.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.6 m -125.33 138.42 54.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 161.57 -141.51 7.35 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.494 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.2 p -81.21 139.62 35.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.863 0.363 . . . . 0.0 111.124 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.0 ttmt -42.61 -33.65 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.959 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -83.58 -35.5 24.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.51 -52.4 35.27 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 83.0 mt -55.01 -48.31 75.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.796 0.331 . . . . 0.0 111.117 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -53.46 -44.17 68.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -58.38 -53.6 56.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.793 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.17 -33.77 76.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -68.97 -37.08 78.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.56 ' CD2' HD12 ' A' ' 80' ' ' LEU . 27.3 t60 -71.19 -33.51 70.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -76.88 -50.92 12.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.6 p -56.96 -37.85 56.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.173 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.5 mt -73.82 -39.76 63.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.56 HD12 ' CD2' ' A' ' 76' ' ' HIS . 12.1 mt -61.19 -41.44 96.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.981 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 21.0 mt -69.93 -49.11 59.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.162 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 67.1 p -60.04 -42.14 93.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.89 -55.55 33.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.055 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -45.65 -43.76 12.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.475 ' CB ' ' NE2' ' A' ' 27' ' ' HIS . 71.5 mm-40 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.823 0.344 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.2 p -141.58 128.49 20.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.81 170.76 9.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.4 p -138.98 159.35 42.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.7 p -132.97 107.58 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.11 116.22 6.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.062 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.456 HD11 ' CD1' ' A' ' 62' ' ' ILE . 8.5 pt -145.83 155.69 52.01 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.613 0.72 . . . . 0.0 111.195 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.501 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.4 Cg_endo -69.71 139.41 40.33 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -51.03 -17.74 0.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.84 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -74.36 -33.45 63.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.505 ' NE2' ' CB ' ' A' ' 85' ' ' GLN . 63.0 m170 -85.42 -12.24 52.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -63.07 -42.35 99.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -66.41 -19.45 65.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -80.02 -26.8 39.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.5 t -82.44 -32.72 10.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.156 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.7 mt -72.33 -44.18 63.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.123 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 34' ' ' LYS . . . 122.98 162.98 11.67 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 33' ' ' GLY . 21.6 tttt -37.27 -61.46 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.771 0.319 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 -112.08 -34.42 5.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 150.12 57.1 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.469 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -130.45 -44.26 1.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.898 0.38 . . . . 0.0 110.879 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.5 tptt -40.07 -57.51 1.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.5 tp -53.51 -44.57 69.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.941 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.8 mm100 -49.75 -57.45 7.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.98 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -56.08 -45.22 79.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.7 mt -55.73 -59.91 4.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 47' ' ' ALA . 29.8 mt-10 -42.09 -39.28 1.92 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 47' ' ' ALA . 20.9 mt -76.73 -66.62 0.79 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -40.17 -36.49 0.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 20.1 p -101.0 -17.16 16.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . 57.41 34.52 24.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 63.3 p -109.68 173.69 6.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.5 tppt? -109.29 86.14 2.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 77.3 mt -78.59 120.78 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.122 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -121.27 112.91 19.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.458 ' CG2' ' HD2' ' A' ' 53' ' ' PRO . 51.8 mt -96.39 138.02 21.54 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.614 0.721 . . . . 0.0 111.12 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.497 ' CG ' ' O ' ' A' ' 59' ' ' SER . 53.3 Cg_endo -69.77 151.7 69.07 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.655 2.237 . . . . 0.0 112.306 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -61.2 155.64 55.0 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.59 0.709 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -9.83 27.1 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.682 2.255 . . . . 0.0 112.332 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -103.21 -21.61 13.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.849 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.42 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.5 t70 -75.82 141.27 71.71 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.614 0.721 . . . . 0.0 110.788 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.42 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.6 Cg_endo -69.75 -0.53 7.04 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.715 2.276 . . . . 0.0 112.371 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.497 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 9.0 m -90.02 113.22 24.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 -113.57 25.21 11.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -109.07 122.14 46.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.456 ' CD1' HD11 ' A' ' 23' ' ' ILE . 46.9 mt -74.67 150.32 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.098 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.5 tttp -114.25 139.38 49.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -136.1 115.2 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 98.0 m -120.65 150.11 41.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 149.7 -143.87 11.32 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.446 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 57.8 p -80.74 163.88 23.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.853 0.358 . . . . 0.0 111.127 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.2 mmmt -63.56 -24.64 67.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -92.29 -36.78 13.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.19 -55.91 21.09 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.42 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 71.9 mt -54.89 -46.63 75.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.786 0.327 . . . . 0.0 111.14 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -52.42 -46.83 66.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -56.49 -54.13 49.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.35 -35.77 80.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.101 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -68.16 -41.43 81.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -69.8 -27.92 65.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -82.92 -49.73 9.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.3 p -59.13 -37.18 66.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.5 mt -72.05 -42.2 66.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.6 mt -58.2 -52.48 65.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.93 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 31.6 mt -60.48 -53.12 53.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.8 m -55.2 -36.43 65.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.06 -53.69 41.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.099 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -46.23 -41.36 12.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.505 ' CB ' ' NE2' ' A' ' 27' ' ' HIS . 70.8 mm-40 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.922 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.878 0.37 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.1 t -150.41 156.36 41.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -140.96 170.27 16.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.098 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.3 p -138.98 155.99 47.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.1 p -132.64 109.38 14.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.125 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.53 115.15 4.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.019 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.4 pt -142.37 155.71 64.25 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.665 0.745 . . . . 0.0 111.106 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.513 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.7 Cg_endo -69.79 137.96 36.59 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.687 2.258 . . . . 0.0 112.273 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.8 mmmm -51.54 -16.48 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.965 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -76.3 -32.46 58.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.513 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 61.4 m170 -87.51 -11.25 49.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -61.68 -43.22 99.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.459 ' HG3' ' N ' ' A' ' 30' ' ' PHE . 14.2 ptm180 -61.87 -37.51 84.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.459 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 24.1 m-85 -62.04 -32.02 72.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.45 ' CG2' HG22 ' A' ' 78' ' ' VAL . 87.0 t -75.63 -33.92 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.156 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 95.7 mt -72.67 -44.89 59.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.081 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.88 157.36 9.77 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.507 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -49.47 -60.11 3.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.742 0.306 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -110.5 6.39 21.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 97.67 63.37 0.89 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -132.88 -36.48 1.04 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.998 0.428 . . . . 0.0 110.892 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.8 -66.31 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.5 tp -44.31 -43.49 7.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.994 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -57.71 -56.63 19.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.913 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -58.45 -41.69 85.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.8 mt -60.97 -53.12 61.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.486 ' O ' ' N ' ' A' ' 47' ' ' ALA . 23.8 mt-10 -49.7 -40.87 41.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.8 mt -75.33 -65.0 0.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.961 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -44.4 -34.9 2.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 22.1 p -99.99 -18.46 17.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.173 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . 57.96 34.85 24.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.038 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 77.9 p -111.12 172.73 6.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -110.31 83.67 1.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.819 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 43.3 mt -72.21 140.39 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.113 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -136.34 115.91 12.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 50.5 mt -103.56 134.51 19.71 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.64 0.733 . . . . 0.0 111.163 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 154.31 68.22 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.697 2.265 . . . . 0.0 112.41 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.6 mtp85 -64.01 158.73 60.95 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.607 0.718 . . . . 0.0 110.831 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -16.86 37.79 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.732 2.288 . . . . 0.0 112.313 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -95.98 -24.32 16.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.419 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 4.3 t70 -71.74 140.9 84.25 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.555 0.693 . . . . 0.0 110.874 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.419 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.5 Cg_endo -69.8 -1.29 8.26 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.7 2.266 . . . . 0.0 112.34 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.4 m -88.25 121.91 31.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -122.61 24.44 9.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -112.01 120.75 42.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.953 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 50.8 mt -73.71 149.69 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.158 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -115.33 139.92 49.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -133.32 122.11 43.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.7 m -120.83 143.97 48.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.166 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 153.71 -143.69 10.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.469 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.3 p -94.2 147.95 22.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.916 0.389 . . . . 0.0 111.12 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -40.24 -35.22 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -76.25 -60.22 2.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -49.0 -56.48 10.04 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.445 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 68.1 mt -53.19 -42.16 45.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.77 0.319 . . . . 0.0 111.102 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -55.54 -58.83 6.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -47.81 -51.21 23.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.955 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.26 -41.54 98.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.044 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.5 ttt-85 -67.42 -30.34 70.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -78.03 -31.79 50.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -79.54 -45.45 19.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.45 HG22 ' CG2' ' A' ' 31' ' ' VAL . 9.5 p -63.18 -34.63 67.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.144 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.1 mt -76.15 -43.61 42.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.2 mt -58.89 -43.83 91.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 19.1 mt -69.97 -43.53 79.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.1 m -64.89 -38.65 91.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.15 -54.51 36.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -42.25 -48.33 4.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.49 ' CB ' ' NE2' ' A' ' 27' ' ' HIS . 84.0 mm-40 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.928 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.761 0.315 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.3 p -147.36 121.33 9.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -116.68 175.73 5.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 p -139.04 153.01 48.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.47 ' CG1' ' HB ' ' A' ' 62' ' ' ILE . 3.9 p -126.41 110.89 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.45 112.45 6.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.091 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.416 HD12 ' CD1' ' A' ' 62' ' ' ILE . 4.3 pt -146.63 156.43 48.69 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.613 0.72 . . . . 0.0 111.13 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 140.17 41.86 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.72 2.28 . . . . 0.0 112.29 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.4 mttp -53.62 -15.6 1.24 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.883 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -76.13 -29.99 58.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.491 ' NE2' ' CB ' ' A' ' 85' ' ' GLN . 65.7 m170 -87.09 -15.36 38.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.979 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -57.13 -40.88 78.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -63.5 -36.91 85.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -62.98 -18.06 62.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.0 t -92.92 -17.19 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.13 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 26.0 mt -95.24 -32.23 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.432 ' CA ' ' HB2' ' A' ' 38' ' ' LYS . . . 104.8 168.69 24.35 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.489 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm -71.75 -33.99 69.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.833 0.349 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -110.75 -10.39 14.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.79 43.76 2.4 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.461 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -119.94 -16.48 8.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.943 0.401 . . . . 0.0 110.943 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.432 ' HB2' ' CA ' ' A' ' 33' ' ' GLY . 2.8 tmtm? -64.47 -43.86 92.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.8 tp -71.41 -46.8 59.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.474 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 7.5 pt20 -60.56 -46.67 89.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.474 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 6.3 t70 -61.96 -38.86 90.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.9 mt -64.95 -56.1 15.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -52.24 -18.15 1.42 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.4 mt -93.27 -58.03 2.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -49.73 -43.18 47.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 35.5 p -93.47 -19.78 20.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.194 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 62.84 40.08 10.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.094 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 62.1 p -113.38 177.56 4.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.161 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.98 96.05 5.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.828 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 53.7 mt -87.37 128.48 39.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -122.23 104.16 9.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.952 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 38.4 mt -91.51 127.67 49.71 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.582 0.706 . . . . 0.0 111.181 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.497 ' CG ' ' O ' ' A' ' 59' ' ' SER . 54.0 Cg_endo -69.75 152.71 69.41 Favored 'Trans proline' 0 C--O 1.231 0.128 0 C-N-CA 122.653 2.235 . . . . 0.0 112.369 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -61.16 156.07 51.91 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.699 0.761 . . . . 0.0 110.854 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -4.37 13.88 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.733 2.288 . . . . 0.0 112.318 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.33 -7.08 14.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.814 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.422 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.5 t70 -87.01 140.87 32.86 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.633 0.73 . . . . 0.0 110.81 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.422 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.5 Cg_endo -69.76 2.81 3.2 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.708 2.272 . . . . 0.0 112.354 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.497 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 42.1 m -96.67 109.22 21.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 -107.52 12.28 27.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -102.01 121.42 42.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.47 ' HB ' ' CG1' ' A' ' 21' ' ' VAL . 49.6 mt -74.53 152.13 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.078 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.414 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 59.9 tttt -114.06 130.72 56.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.1 pt -125.68 120.12 56.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.3 m -124.34 146.29 48.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.158 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 153.85 -146.57 14.96 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.546 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 69' ' ' GLU . 76.4 p -82.4 139.93 33.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.829 0.347 . . . . 0.0 111.196 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 67' ' ' THR . 5.0 tmmm? -37.09 -30.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.858 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 67' ' ' THR . 23.0 mt-10 -85.49 -45.89 11.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 67' ' ' THR . . . -56.08 -52.96 45.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.448 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 65.9 mt -60.07 -42.8 91.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.766 0.317 . . . . 0.0 111.135 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -56.29 -48.92 75.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -57.4 -53.32 59.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.65 -36.98 80.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.06 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -66.74 -39.81 88.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 56.1 t60 -68.55 -36.76 79.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -73.69 -50.66 19.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.2 p -61.06 -29.26 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.5 mt -81.18 -38.87 26.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.947 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.8 mt -65.24 -44.95 86.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 45.6 mt -64.11 -58.39 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.0 m -52.89 -39.1 62.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.11 -50.55 72.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.059 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -57.77 -28.63 64.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.491 ' CB ' ' NE2' ' A' ' 27' ' ' HIS . 50.5 mm-40 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.768 0.318 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.4 p -142.63 128.6 19.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.918 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.46 175.13 6.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.087 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.6 p -138.88 154.09 48.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.21 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.46 ' CG1' ' HB ' ' A' ' 62' ' ' ILE . 4.9 p -129.01 106.87 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.148 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.66 115.15 5.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.035 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.458 HD11 ' CD1' ' A' ' 62' ' ' ILE . 5.5 pt -141.5 156.35 66.83 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.634 0.73 . . . . 0.0 111.133 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.499 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 54.6 Cg_endo -69.78 141.46 45.21 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.611 2.208 . . . . 0.0 112.41 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.6 tptt -53.88 -15.1 1.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -78.84 -28.11 44.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.503 ' NE2' ' CB ' ' A' ' 85' ' ' GLN . 67.1 m170 -88.52 -19.29 26.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -56.93 -27.1 60.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -85.45 -22.42 28.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -78.85 -13.05 60.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.5 t -96.48 -29.5 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.148 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 16.5 mt -79.15 -33.27 15.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.166 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 34' ' ' LYS . . . 104.4 129.8 6.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.569 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 33' ' ' GLY . 5.6 tmtt? -36.44 -45.36 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.815 0.34 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -98.65 -21.07 16.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 105.79 45.63 1.28 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.47 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -122.02 -16.39 7.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.932 0.396 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.7 tptp -68.61 -29.85 68.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.9 tp -79.63 -48.0 14.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.936 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -63.34 -35.44 80.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -74.32 -31.57 62.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.9 mt -76.26 -52.03 10.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -51.82 -27.14 11.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 20.5 mt -84.19 -65.77 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -43.6 -33.6 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.1 p -100.12 -18.18 17.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.194 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 58.86 37.17 24.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.025 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 63.4 p -112.64 179.1 4.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.179 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -115.05 91.26 3.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.912 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 49.6 mt -80.47 126.92 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.7 tp60 -122.83 112.06 17.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.7 mt -101.8 134.35 20.21 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.628 0.728 . . . . 0.0 111.102 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.455 ' CG ' ' O ' ' A' ' 59' ' ' SER . 53.8 Cg_endo -69.79 145.52 57.25 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.651 2.234 . . . . 0.0 112.392 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -49.11 158.84 0.65 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.677 0.751 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -14.61 36.28 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.679 2.253 . . . . 0.0 112.355 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -100.09 -23.32 14.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.416 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 5.5 t70 -69.98 139.88 88.25 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.584 0.707 . . . . 0.0 110.905 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.416 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 54.1 Cg_endo -69.82 -0.47 7.02 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.697 2.264 . . . . 0.0 112.314 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.455 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 47.6 m -81.14 120.46 24.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.832 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -120.73 19.34 11.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -110.52 120.5 42.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.46 ' HB ' ' CG1' ' A' ' 21' ' ' VAL . 43.2 mt -75.05 148.87 7.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -112.71 132.18 55.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.1 pt -127.43 116.01 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.173 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.8 m -121.41 140.18 52.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 158.98 -144.19 10.03 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.434 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 68.2 p -83.07 165.73 19.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.895 0.379 . . . . 0.0 111.111 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -63.74 -25.99 68.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -90.54 -39.44 12.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.73 -53.64 36.74 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.527 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 76.6 mt -56.64 -40.98 72.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 0.0 111.156 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -57.99 -49.48 76.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.8 mttp -54.19 -52.42 61.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.34 -38.33 90.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.4 ttt-85 -64.79 -33.97 77.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.823 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.493 ' CD2' HD11 ' A' ' 80' ' ' LEU . 56.5 t60 -73.44 -39.3 65.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.839 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -71.24 -51.21 25.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.849 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.2 p -56.07 -39.61 59.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.136 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.1 mt -72.88 -42.96 63.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.946 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.493 HD11 ' CD2' ' A' ' 76' ' ' HIS . 14.3 mt -58.09 -46.15 85.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 36.3 mt -58.47 -56.2 17.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 94.0 p -53.99 -46.1 71.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.813 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.95 -49.28 73.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.065 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -55.49 -32.95 63.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.892 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.503 ' CB ' ' NE2' ' A' ' 27' ' ' HIS . 72.6 mm-40 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.728 0.299 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.2 p -146.67 125.43 12.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.816 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.61 172.81 7.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.074 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -139.06 154.09 48.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.468 ' CG1' ' HB ' ' A' ' 62' ' ' ILE . 3.3 p -125.71 109.86 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.087 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.69 113.14 6.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.8 pt -146.61 155.26 48.97 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.584 0.707 . . . . 0.0 111.189 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.484 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 54.2 Cg_endo -69.76 142.57 48.28 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.663 2.242 . . . . 0.0 112.446 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.4 mtmm -56.46 -12.98 1.95 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -79.56 -25.11 41.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.484 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 65.4 m170 -89.64 -19.25 25.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -55.9 -36.86 68.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.806 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -61.71 -34.95 76.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -72.82 -10.13 59.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.6 t -102.84 -27.61 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.078 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.5 mt -82.93 -36.4 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.402 ' CA ' ' HB2' ' A' ' 38' ' ' LYS . . . 107.85 168.88 21.61 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.522 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.2 tppt? -41.52 -64.02 0.62 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.759 0.314 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -108.53 -29.77 8.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.966 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 149.16 46.41 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.48 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -111.38 -46.36 3.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.883 0.373 . . . . 0.0 110.865 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.402 ' HB2' ' CA ' ' A' ' 33' ' ' GLY . 1.7 tmtp? -41.19 -65.51 0.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.7 tp -48.3 -45.16 34.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.942 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -53.75 -52.25 60.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -57.53 -48.04 80.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.4 mt -53.61 -54.17 41.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -48.69 -36.94 17.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 47' ' ' ALA . 11.9 mt -79.46 -66.99 0.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -40.15 -36.25 0.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 22.2 p -101.32 -17.6 16.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.167 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 44' ' ' LEU . . . 59.05 34.5 23.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 74.5 p -111.46 168.26 9.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.154 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.436 ' HD3' ' N ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -102.02 90.02 3.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 73.3 mt -82.45 128.9 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -123.95 111.43 16.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.7 mt -99.82 129.45 28.61 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.564 0.697 . . . . 0.0 111.189 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 144.87 55.36 Favored 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 122.743 2.295 . . . . 0.0 112.387 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.9 mtp180 -52.81 160.36 1.48 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.601 0.715 . . . . 0.0 110.839 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -22.15 32.24 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.593 2.195 . . . . 0.0 112.35 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.2 p30 -90.47 -30.48 17.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.802 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.427 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.5 t70 -62.37 141.15 96.45 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.628 0.728 . . . . 0.0 110.854 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.8 Cg_endo -69.75 2.99 3.03 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.629 2.22 . . . . 0.0 112.368 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.5 m -91.45 130.68 37.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 -127.78 3.83 6.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -96.3 122.61 39.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.468 ' HB ' ' CG1' ' A' ' 21' ' ' VAL . 55.4 mt -78.16 148.46 6.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.3 tttp -111.64 134.42 53.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.465 ' CD1' HG23 ' A' ' 71' ' ' ILE . 1.1 pt -128.81 116.17 39.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.7 m -117.46 143.42 46.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 153.98 -152.59 24.17 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.608 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 80.1 p -78.07 144.24 36.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.769 0.319 . . . . 0.0 111.162 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -43.79 -23.49 0.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.927 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -89.96 -45.67 9.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -60.31 -52.03 55.17 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.506 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.465 HG23 ' CD1' ' A' ' 64' ' ' ILE . 83.9 mt -56.41 -48.86 79.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.75 0.31 . . . . 0.0 111.116 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -51.25 -52.08 48.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -48.04 -58.17 4.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.91 -34.27 75.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.086 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.42 ' O ' ' CD1' ' A' ' 79' ' ' LEU . 23.0 ttp180 -67.65 -33.61 75.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 52.2 t60 -76.24 -36.74 58.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.935 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -72.87 -49.71 28.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.5 p -57.21 -34.2 45.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.42 ' CD1' ' O ' ' A' ' 75' ' ' ARG . 7.4 mt -74.25 -47.16 36.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.8 mt -56.04 -48.73 75.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 17.3 mt -58.31 -56.93 13.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 58.0 p -55.25 -48.25 74.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.86 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -48.36 -51.96 23.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.09 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -58.36 -39.13 78.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.951 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.425 ' CB ' ' NE2' ' A' ' 27' ' ' HIS . 79.1 mm-40 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.811 0.339 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.2 p -144.75 128.8 17.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.794 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.98 171.03 8.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.123 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -139.1 159.14 42.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.142 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.465 ' CG1' ' HB ' ' A' ' 62' ' ' ILE . 4.1 p -132.32 120.6 43.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.146 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.93 107.17 10.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.077 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.1 pt -139.29 155.47 72.28 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.672 0.749 . . . . 0.0 111.046 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.519 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.8 Cg_endo -69.8 143.78 51.75 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.717 2.278 . . . . 0.0 112.359 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.413 ' HD2' ' CE1' ' A' ' 28' ' ' HIS . 1.2 mmmp? -58.18 -11.56 2.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -83.26 -22.38 33.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.519 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 62.7 m170 -89.94 -28.1 19.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.814 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.413 ' CE1' ' HD2' ' A' ' 25' ' ' LYS . 31.7 m170 -45.78 -46.75 15.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -52.33 -43.87 64.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -61.45 -13.36 19.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.4 t -102.35 -23.32 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 61.2 mt -85.2 -36.79 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.18 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.449 ' CA ' ' HB2' ' A' ' 38' ' ' LYS . . . 111.18 175.82 20.27 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.501 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.7 ttmm -57.31 -58.39 8.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.878 0.371 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -106.69 -28.37 10.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 142.68 54.37 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.491 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.511 ' O ' ' N ' ' A' ' 40' ' ' GLN . 3.0 mt-10 -122.01 -51.07 2.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.882 0.372 . . . . 0.0 110.886 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.449 ' HB2' ' CA ' ' A' ' 33' ' ' GLY . 2.7 tmtp? -35.33 -39.26 0.12 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.4 tp -75.79 -41.92 51.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.511 ' N ' ' O ' ' A' ' 37' ' ' GLU . 5.5 pt20 -63.88 -36.89 85.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -72.79 -40.59 65.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.817 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.4 mt -64.08 -49.4 72.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -54.33 -29.2 47.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.0 mt -84.12 -64.88 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.9 ttpp -45.61 -42.01 10.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.1 p -91.81 -14.36 29.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 54.37 35.83 23.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.113 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 66.0 p -111.89 170.94 7.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.112 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.05 87.76 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 73.4 mt -78.9 130.34 36.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.167 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -130.64 107.63 9.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 37.9 mt -95.1 134.49 24.58 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.62 0.724 . . . . 0.0 111.151 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 143.88 51.92 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.704 2.269 . . . . 0.0 112.27 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 47.6 mtt180 -53.06 159.5 1.91 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.695 0.759 . . . . 0.0 110.771 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 -14.89 36.74 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.692 2.261 . . . . 0.0 112.389 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -97.47 -27.26 14.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.425 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.6 t70 -67.1 141.05 96.15 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.574 0.702 . . . . 0.0 110.925 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.425 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 54.1 Cg_endo -69.77 -4.06 13.27 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.657 2.238 . . . . 0.0 112.358 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.7 m -85.96 125.72 33.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 -121.82 11.83 10.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -100.43 123.75 45.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.465 ' HB ' ' CG1' ' A' ' 21' ' ' VAL . 49.6 mt -76.73 148.85 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.064 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -109.61 136.62 48.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.465 ' CD1' HG23 ' A' ' 71' ' ' ILE . 1.1 pt -133.96 120.94 37.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.147 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.2 m -127.57 142.64 51.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.139 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 155.67 -146.54 14.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.422 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 70' ' ' GLY . 75.8 p -81.54 143.75 31.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.893 0.377 . . . . 0.0 111.128 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 tmmm? -38.46 -35.58 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -80.06 -43.63 21.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 67' ' ' THR . . . -55.85 -60.83 8.2 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.439 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.465 HG23 ' CD1' ' A' ' 64' ' ' ILE . 76.4 mt -52.69 -46.48 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.825 0.345 . . . . 0.0 111.194 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -52.61 -54.99 25.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.9 mttp -47.64 -59.07 3.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.57 -35.6 74.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.132 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.8 ttt180 -68.75 -32.51 72.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.833 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.484 ' CD2' HD12 ' A' ' 80' ' ' LEU . 56.8 t60 -75.58 -33.55 60.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -76.36 -44.84 34.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.3 p -64.07 -40.72 90.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.14 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.5 mt -71.11 -41.67 70.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.484 HD12 ' CD2' ' A' ' 76' ' ' HIS . 15.2 mt -59.16 -48.38 81.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 21.6 mt -59.85 -59.53 3.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.118 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.6 t -48.34 -56.02 9.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -45.62 -54.73 7.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.107 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -49.31 -43.88 43.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.439 ' CB ' ' NE2' ' A' ' 27' ' ' HIS . 58.5 mm-40 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.74 0.305 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.3 p -148.26 120.18 8.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.858 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -115.87 175.01 5.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.062 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 p -139.09 153.84 48.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.149 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.0 p -128.31 109.83 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.59 113.76 6.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.134 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.441 HG13 ' CD2' ' A' ' 28' ' ' HIS . 2.8 pt -141.19 155.03 68.32 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.703 0.763 . . . . 0.0 111.066 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.512 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.8 Cg_endo -69.7 147.84 64.13 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.68 2.253 . . . . 0.0 112.396 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.486 ' NZ ' ' ND1' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -61.54 -9.15 5.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -90.85 -12.79 35.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.512 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 54.4 m170 -103.49 -18.79 14.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.828 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.486 ' ND1' ' NZ ' ' A' ' 25' ' ' LYS . 10.2 m170 -54.28 -46.22 72.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -57.44 -43.37 83.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -56.26 -13.6 2.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 40.2 t -97.73 -33.31 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 56.9 mt -74.46 -39.28 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 114.95 168.6 15.77 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.466 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.9 mmmt -59.12 -49.0 79.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.732 0.301 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -111.51 -20.2 12.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 124.06 47.87 0.23 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -121.37 -22.79 5.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.876 0.369 . . . . 0.0 110.835 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.9 tptt -63.44 -31.67 72.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.1 tp -81.84 -44.23 17.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -63.8 -36.11 82.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -73.91 -36.65 64.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.2 mt -68.48 -53.08 25.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -51.23 -32.4 23.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.6 mt -80.33 -62.66 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.969 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -46.69 -31.93 3.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.6 p -102.46 -20.75 14.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.232 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 61.52 38.3 15.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 71.0 p -114.68 175.61 5.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.2 tppt? -110.99 87.91 2.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.424 HG21 ' N ' ' A' ' 51' ' ' GLN . 71.4 mt -77.43 136.19 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.132 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.424 ' N ' HG21 ' A' ' 50' ' ' ILE . 3.4 tp-100 -129.43 114.57 16.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.906 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.6 mt -105.32 123.69 38.8 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.598 0.714 . . . . 0.0 111.167 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.496 ' CG ' ' O ' ' A' ' 59' ' ' SER . 53.9 Cg_endo -69.7 142.04 47.1 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.706 2.271 . . . . 0.0 112.381 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 64.4 mtm180 -49.87 158.04 0.96 Allowed Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.631 0.729 . . . . 0.0 110.844 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -14.68 36.38 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.695 2.263 . . . . 0.0 112.296 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -94.52 -25.63 16.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.864 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.424 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 4.9 t70 -69.96 140.57 88.72 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.563 0.697 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.9 Cg_endo -69.77 2.3 3.66 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.726 2.284 . . . . 0.0 112.374 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.496 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 10.1 m -94.09 114.42 26.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -114.03 20.46 15.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -110.08 120.91 43.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.422 ' CG2' ' N ' ' A' ' 63' ' ' LYS . 53.3 mt -75.02 152.38 6.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.077 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.422 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 35.5 tttt -114.89 132.1 56.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.1 pt -127.33 116.72 44.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.431 HG23 ' N ' ' A' ' 66' ' ' GLY . 47.7 m -120.66 146.51 46.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.431 ' N ' HG23 ' A' ' 65' ' ' THR . . . 152.72 -147.53 17.28 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.463 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 67.6 p -82.23 150.53 27.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.857 0.361 . . . . 0.0 111.165 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? -46.77 -31.51 3.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -83.79 -45.35 13.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -55.68 -59.79 9.95 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.496 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 73.3 mt -52.02 -45.11 40.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 0.0 111.153 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -53.99 -47.83 71.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -58.15 -49.21 77.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.828 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.02 -36.58 84.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.111 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -70.58 -38.82 74.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 53.9 t60 -67.82 -27.11 66.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -83.33 -46.63 12.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.433 ' CG1' ' N ' ' A' ' 79' ' ' LEU . 2.0 p -65.11 -39.93 87.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.433 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 17.3 mt -69.73 -36.6 76.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.05 -49.51 69.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 24.9 mt -60.49 -57.97 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 85.2 p -50.6 -46.17 57.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.62 -51.51 69.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -48.85 -44.25 39.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.886 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.404 ' O ' ' CD1' ' A' ' 71' ' ' ILE . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.85 0.357 . . . . 0.0 111.056 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.0 p -139.12 125.62 20.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.792 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.65 -178.85 4.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.106 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 p -139.17 155.64 47.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.415 ' CG1' ' HB ' ' A' ' 62' ' ' ILE . 5.6 p -130.01 94.08 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.093 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.29 112.14 1.03 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.562 HD11 ' CD2' ' A' ' 28' ' ' HIS . 10.9 pt -138.19 155.38 74.28 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.601 0.715 . . . . 0.0 111.123 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.527 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.7 Cg_endo -69.81 150.58 68.11 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.644 2.229 . . . . 0.0 112.39 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -60.86 -9.25 3.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.987 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -90.46 -11.73 39.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.569 ' CD2' ' HG3' ' A' ' 85' ' ' GLN . 62.7 m170 -103.53 -13.43 16.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.779 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.562 ' CD2' HD11 ' A' ' 23' ' ' ILE . 6.2 m-70 -63.74 -37.4 87.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -70.88 -38.37 73.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -61.91 -30.22 70.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.1 t -80.83 -35.87 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.42 ' C ' ' HB3' ' A' ' 38' ' ' LYS . 90.3 mt -72.34 -42.09 65.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.51 148.57 7.9 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.491 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -41.53 -47.39 3.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.789 0.328 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -111.65 -30.84 7.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.41 47.39 0.12 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.492 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -123.89 -19.89 5.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.939 0.399 . . . . 0.0 110.887 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.42 ' HB3' ' C ' ' A' ' 32' ' ' ILE . 17.6 tptm -62.37 -54.39 41.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.4 tp -51.66 -45.4 63.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -52.06 -59.37 4.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -53.7 -45.87 70.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.6 mt -56.61 -53.73 54.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.835 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 47' ' ' ALA . 20.6 mt-10 -49.1 -41.18 34.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.814 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 47' ' ' ALA . 39.2 mt -74.96 -66.53 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.7 ttpp -40.1 -42.91 1.52 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.1 p -92.51 -19.68 21.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 44' ' ' LEU . . . 60.19 34.94 21.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.043 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 76.5 p -111.71 176.45 5.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.117 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.9 mmmt -112.54 85.88 2.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 77.2 mt -74.92 129.35 36.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.064 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -125.56 117.41 23.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 59.3 mt -109.17 130.5 22.66 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.665 0.745 . . . . 0.0 111.097 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.464 ' CB ' ' HB3' ' A' ' 59' ' ' SER . 53.7 Cg_endo -69.8 140.83 43.48 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.716 2.277 . . . . 0.0 112.321 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 53' ' ' PRO . 4.8 mpt_? -36.83 155.66 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.634 0.73 . . . . 0.0 110.846 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -14.32 35.72 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.651 2.234 . . . . 0.0 112.319 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.28 -26.43 15.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.431 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 9.5 t70 -66.21 139.81 96.59 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.574 0.702 . . . . 0.0 110.927 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.431 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.7 Cg_endo -69.76 3.25 2.88 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.723 2.282 . . . . 0.0 112.366 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.464 ' HB3' ' CB ' ' A' ' 53' ' ' PRO . 12.2 t -83.02 124.15 30.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -123.2 18.17 9.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -108.63 117.23 33.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.472 ' CD1' HD13 ' A' ' 23' ' ' ILE . 30.0 mt -75.95 149.19 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -111.77 132.9 54.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.929 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.1 pt -127.08 122.76 60.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 38.0 m -128.62 139.2 52.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.19 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 157.0 -152.03 23.38 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.493 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 70' ' ' GLY . 69.7 p -80.57 145.81 31.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.847 0.356 . . . . 0.0 111.171 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -38.78 -37.34 0.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -75.23 -44.24 47.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 67' ' ' THR . . . -59.79 -58.96 11.52 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.4 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.404 ' CD1' ' O ' ' A' ' 17' ' ' ALA . 73.6 mt -55.86 -44.85 79.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 0.0 111.178 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -56.67 -50.09 73.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -55.21 -52.95 61.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.24 -36.9 85.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.091 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -69.6 -34.29 73.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -74.95 -26.87 59.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -85.62 -46.7 10.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.7 -28.91 45.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 15.0 mt -81.86 -38.5 25.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.6 mt -63.55 -43.18 97.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 27.3 mt -66.66 -52.23 47.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 46.4 p -57.41 -46.45 83.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.03 -56.11 25.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.073 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -43.93 -45.26 7.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.569 ' HG3' ' CD2' ' A' ' 27' ' ' HIS . 55.2 mm-40 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.748 0.308 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m -152.33 137.7 17.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.27 177.06 6.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.136 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -139.18 159.14 42.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.198 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.439 ' CG1' ' HB ' ' A' ' 62' ' ' ILE . 5.7 p -134.53 101.37 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.159 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.25 111.44 2.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.466 HD13 ' CD1' ' A' ' 62' ' ' ILE . 9.1 pt -140.28 155.55 70.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.705 0.764 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.513 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 54.5 Cg_endo -69.7 145.88 58.84 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.678 2.252 . . . . 0.0 112.367 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.19 -11.41 2.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.919 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -83.14 -21.69 33.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.525 ' CD2' ' HG3' ' A' ' 85' ' ' GLN . 66.2 m170 -95.3 -19.61 19.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -56.59 -46.18 80.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -58.96 -35.78 73.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -68.0 -29.18 68.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 66.5 t -78.22 -35.41 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.116 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.406 HG12 ' CD1' ' A' ' 52' ' ' ILE . 73.3 mt -72.55 -44.96 60.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 119.81 147.66 8.03 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.463 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.4 tptt -46.97 -55.08 8.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.359 . . . . 0.0 110.857 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -110.27 11.65 23.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.38 54.39 3.0 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.464 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -129.7 -5.19 4.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.902 0.382 . . . . 0.0 110.916 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.7 tptt -85.53 -43.02 13.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.2 tp -67.54 -49.23 64.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -55.88 -39.94 72.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.985 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -70.04 -45.31 67.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.7 mt -58.82 -52.06 67.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 47' ' ' ALA . 22.3 mt-10 -49.86 -38.22 34.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 25.5 mt -76.64 -64.62 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -44.54 -36.22 2.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 19.6 p -99.01 -16.29 18.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.125 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . 56.85 34.48 24.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.055 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 74.8 p -110.06 174.84 5.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.14 86.11 2.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 78.9 mt -78.71 126.17 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.195 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -123.61 120.16 31.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.406 ' CD1' HG12 ' A' ' 32' ' ' ILE . 56.5 mt -111.17 126.78 28.0 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.591 0.71 . . . . 0.0 111.21 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 143.83 51.96 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.692 2.261 . . . . 0.0 112.335 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -43.64 156.72 0.28 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.528 0.68 . . . . 0.0 110.932 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -8.42 23.57 Favored 'Trans proline' 0 N--CA 1.464 -0.22 0 C-N-CA 122.71 2.273 . . . . 0.0 112.402 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -101.49 -22.43 14.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.419 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.7 t70 -70.58 141.03 87.38 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.579 0.704 . . . . 0.0 110.842 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.419 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.5 Cg_endo -69.76 3.04 3.0 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.649 2.233 . . . . 0.0 112.358 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 t -88.43 115.82 26.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -115.84 18.16 15.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -110.85 120.53 42.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.466 ' CD1' HD13 ' A' ' 23' ' ' ILE . 51.0 mt -77.97 147.9 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.096 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.9 tttp -110.8 130.64 55.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.461 ' CD1' HG21 ' A' ' 71' ' ' ILE . 1.1 pt -124.09 123.32 66.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.2 m -127.25 146.63 50.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 150.05 -150.47 22.53 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.465 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.3 p -77.89 146.31 35.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.878 0.371 . . . . 0.0 111.131 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -40.06 -39.89 0.96 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.4 mp0 -76.57 -43.06 40.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -56.29 -58.19 15.5 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.483 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.461 HG21 ' CD1' ' A' ' 64' ' ' ILE . 80.8 mt -55.09 -52.14 47.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.831 0.348 . . . . 0.0 111.143 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.475 ' CA ' ' OE1' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -50.76 -51.51 49.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.1 mttm -51.87 -54.42 29.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.01 -33.39 75.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.147 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.1 ttt180 -71.54 -34.15 69.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.544 ' CD2' HD13 ' A' ' 80' ' ' LEU . 41.8 t60 -74.56 -29.8 61.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -82.66 -45.13 14.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.802 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.4 p -64.1 -27.97 43.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.1 mt -83.52 -42.53 16.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.935 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.544 HD13 ' CD2' ' A' ' 76' ' ' HIS . 12.5 mt -57.6 -40.03 78.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.6 mt -69.46 -48.41 66.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.2 p -61.51 -42.7 99.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.71 -56.34 20.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.156 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -45.84 -46.7 15.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.525 ' HG3' ' CD2' ' A' ' 27' ' ' HIS . 60.4 mm-40 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.814 0.34 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.1 p -143.65 125.85 15.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -118.35 176.17 5.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.113 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -139.4 154.69 47.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.2 p -128.1 107.51 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.126 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.53 111.92 3.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.404 ' O ' ' O ' ' A' ' 60' ' ' ASN . 2.8 pt -141.08 156.22 68.22 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 121.591 0.71 . . . . 0.0 111.203 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.517 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 54.0 Cg_endo -69.72 150.92 69.07 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.72 2.28 . . . . 0.0 112.329 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.0 mtmm -67.45 -2.18 5.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -95.21 -21.87 18.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.517 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 58.4 m170 -89.1 -29.37 19.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.809 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -40.65 -47.23 2.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -52.52 -47.05 66.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.422 ' CE1' ' NE2' ' A' ' 85' ' ' GLN . 47.2 m-85 -57.6 -25.09 59.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 41.7 t -83.48 -37.64 13.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 53.0 mt -71.83 -38.88 66.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.216 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.53 177.04 17.46 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.464 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -67.42 -60.56 2.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.792 0.33 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -109.7 11.23 24.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 93.81 53.22 1.82 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -126.37 -29.85 2.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.901 0.381 . . . . 0.0 110.914 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -55.83 -66.71 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.9 tp -48.79 -44.63 39.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -52.27 -56.37 15.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.944 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -59.41 -39.8 84.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.6 mt -60.18 -54.58 44.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.949 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 47' ' ' ALA . 21.4 mt-10 -50.8 -40.18 54.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 28.4 mt -74.23 -65.74 0.81 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -43.63 -40.01 3.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 38.8 p -94.5 -18.99 20.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.207 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . 57.84 33.05 22.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.094 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 81.4 p -109.1 176.16 5.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.081 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.3 mmmt -110.16 89.17 2.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 60.4 mt -84.34 122.11 37.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.134 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -117.54 121.75 41.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 47.3 mt -111.8 123.89 33.63 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.582 0.706 . . . . 0.0 111.161 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 145.7 58.36 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.646 2.231 . . . . 0.0 112.416 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.1 mtp85 -50.28 161.45 0.6 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.646 0.736 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -22.71 31.57 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.671 2.248 . . . . 0.0 112.304 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -89.34 -27.27 20.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.924 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.432 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.4 t70 -62.75 141.43 97.17 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.625 0.726 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.432 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 52.8 Cg_endo -69.81 3.34 2.85 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.656 2.237 . . . . 0.0 112.274 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.8 m -95.76 127.99 42.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.86 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 23' ' ' ILE . 16.2 p-10 -126.41 9.75 7.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.879 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -103.45 122.65 45.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 45.5 mt -80.2 148.44 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.18 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 46.0 tttt -110.57 133.43 53.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.1 pt -127.73 116.7 44.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 39.6 m -123.65 144.42 49.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 156.25 -145.05 11.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 70' ' ' GLY . 75.9 p -82.45 141.62 32.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.837 0.351 . . . . 0.0 111.161 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.3 tttm -38.06 -34.15 0.11 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -84.5 -41.69 16.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 67' ' ' THR . . . -57.69 -54.37 37.82 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.525 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 72.8 mt -57.44 -52.11 61.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.349 . . . . 0.0 111.151 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -47.96 -52.26 20.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt -50.66 -56.28 12.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.1 -36.68 77.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.09 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.7 ttt180 -67.44 -34.2 76.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 57.6 t60 -74.21 -30.74 62.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -79.13 -45.59 19.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.7 p -63.22 -38.13 81.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.5 mt -71.76 -41.72 68.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.7 mt -58.14 -51.63 68.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 19.8 mt -61.67 -56.27 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 58.9 p -51.34 -46.14 62.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.821 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.12 -54.3 48.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -48.95 -45.4 41.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.422 ' NE2' ' CE1' ' A' ' 30' ' ' PHE . 56.1 mm-40 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.809 0.338 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 p -144.94 117.75 8.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.08 169.51 8.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.142 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 p -139.1 153.02 47.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.154 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.4 p -130.05 113.77 27.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.32 115.01 11.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.8 pt -142.47 157.01 63.44 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.617 0.722 . . . . 0.0 111.155 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.517 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.9 Cg_endo -69.66 144.07 53.41 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.731 2.287 . . . . 0.0 112.352 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.1 tptp -54.13 -14.89 1.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.855 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -78.8 -28.09 44.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.517 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 64.9 m170 -89.58 -13.56 36.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.408 ' ND1' HG21 ' A' ' 52' ' ' ILE . 5.8 m-70 -66.27 -36.05 81.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -73.45 -26.04 60.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -75.39 -21.23 58.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.8 t -85.54 -35.86 10.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.17 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.1 mt -69.42 -37.76 75.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 113.43 160.05 13.81 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.44 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -58.15 -56.12 26.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.827 0.346 . . . . 0.0 110.957 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -97.24 -8.51 29.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 106.07 46.95 1.12 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.511 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 40' ' ' GLN . 1.9 mm-40 -120.71 -44.18 2.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.852 0.358 . . . . 0.0 110.903 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 37' ' ' GLU . 18.1 tptp -35.96 -33.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 37' ' ' GLU . 9.1 tp -85.28 -40.77 16.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.967 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 37' ' ' GLU . 3.9 pt20 -63.24 -32.97 74.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -79.75 -32.06 41.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.8 mt -71.02 -56.23 6.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -49.35 -28.15 4.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.4 mt -86.36 -64.81 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.41 ' C ' ' HD2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -45.52 -42.87 11.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.807 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 19.7 p -90.16 -21.64 22.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 63.01 39.63 9.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.164 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 71.5 p -117.34 177.23 4.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -115.07 87.73 2.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 32.4 mt -78.99 126.97 39.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -122.16 113.14 19.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.479 ' CG2' ' HD2' ' A' ' 53' ' ' PRO . 59.5 mt -97.45 138.29 21.13 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.62 0.724 . . . . 0.0 111.152 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.496 ' CG ' ' O ' ' A' ' 59' ' ' SER . 53.9 Cg_endo -69.76 152.6 69.35 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.643 2.229 . . . . 0.0 112.36 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -63.52 155.62 74.72 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.593 0.711 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.62 -6.91 19.66 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.753 2.302 . . . . 0.0 112.401 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.65 -12.19 14.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.411 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 2.2 t70 -86.13 140.4 34.69 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.606 0.717 . . . . 0.0 110.855 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.411 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 52.7 Cg_endo -69.83 3.11 3.0 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.728 2.285 . . . . 0.0 112.247 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.496 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 6.0 m -91.84 119.37 31.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -120.79 27.61 8.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -112.92 119.56 38.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.947 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 52.3 mt -74.24 147.69 8.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.03 128.31 56.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.787 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.473 ' CD1' HG21 ' A' ' 71' ' ' ILE . 1.0 OUTLIER -119.07 115.32 47.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.119 179.835 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.7 m -114.09 142.0 46.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.179 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 153.92 -154.33 25.44 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.526 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 55.5 p -80.08 145.16 32.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.864 0.364 . . . . 0.0 111.154 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.0 tptt -40.53 -36.98 0.64 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -76.91 -45.68 27.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -59.6 -59.61 10.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.562 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.473 HG21 ' CD1' ' A' ' 64' ' ' ILE . 71.9 mt -50.58 -40.54 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.808 0.337 . . . . 0.0 111.121 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -58.08 -51.06 71.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -51.59 -51.02 58.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.55 -36.78 83.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.052 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -65.24 -32.21 73.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -76.36 -45.25 32.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -63.85 -45.09 91.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.3 p -65.68 -36.32 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.171 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.1 mt -74.33 -36.06 63.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.93 -47.83 73.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 50.3 mt -63.17 -57.15 13.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.183 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.5 m -58.33 -34.69 70.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.807 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.76 -46.3 82.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.064 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -54.11 -43.17 70.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.408 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 36.6 mm-40 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.842 0.353 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 p -146.72 121.66 10.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.839 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -118.32 172.9 7.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.078 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.1 p -139.06 155.57 47.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.462 ' CG1' ' HB ' ' A' ' 62' ' ' ILE . 2.6 p -131.29 105.25 10.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.091 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.79 116.76 7.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.462 HD11 ' CD1' ' A' ' 62' ' ' ILE . 5.9 pt -144.93 156.01 55.43 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.643 0.735 . . . . 0.0 111.065 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.529 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 54.1 Cg_endo -69.76 150.11 67.78 Favored 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.74 2.294 . . . . 0.0 112.379 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -9.96 7.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.915 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.441 ' CG ' ' HB2' ' A' ' 24' ' ' PRO . 0.9 OUTLIER -88.97 -12.48 41.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.56 ' CE1' ' HB2' ' A' ' 85' ' ' GLN . 62.8 m170 -104.42 -13.15 16.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -62.45 -46.94 86.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.439 ' HG3' ' N ' ' A' ' 30' ' ' PHE . 7.7 ptp180 -58.39 -39.07 78.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.439 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 15.0 m-85 -60.18 -28.17 67.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.4 t -85.3 -27.74 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.062 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.445 HG12 ' CD1' ' A' ' 52' ' ' ILE . 97.6 mt -79.49 -47.29 22.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 34' ' ' LYS . . . 122.96 140.25 5.66 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 33' ' ' GLY . 12.2 ptmt -35.38 -47.33 0.42 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.787 0.327 . . . . 0.0 110.895 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -111.23 -31.45 7.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.44 42.14 0.2 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.547 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -111.59 -37.94 5.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.947 0.403 . . . . 0.0 110.885 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -47.77 -66.87 0.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 tp -40.89 -46.21 2.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.879 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -54.91 -59.57 4.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -51.5 -40.27 59.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.8 mt -64.91 -52.9 53.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 47' ' ' ALA . 24.7 mt-10 -50.46 -37.04 36.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.8 mt -78.94 -61.93 1.86 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -48.8 -30.88 6.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.4 p -104.35 -15.65 15.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . 54.57 33.92 20.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 71.6 p -110.53 172.71 6.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.404 ' HD2' ' C ' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -109.12 82.04 1.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.932 179.864 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 67.2 mt -71.74 126.36 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.7 tp60 -124.59 115.22 20.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.445 ' CD1' HG12 ' A' ' 32' ' ' ILE . 33.2 mt -102.75 134.4 19.89 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.598 0.714 . . . . 0.0 111.172 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.68 145.52 57.88 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.705 2.27 . . . . 0.0 112.404 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 48.1 mtt-85 -51.8 157.92 1.82 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.547 0.689 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -13.69 34.99 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.642 2.228 . . . . 0.0 112.313 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.58 -24.0 14.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.429 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 4.3 t70 -64.85 141.29 98.31 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.57 0.7 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.429 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.8 Cg_endo -69.79 -1.15 8.01 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.687 2.258 . . . . 0.0 112.312 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.3 m -96.46 124.03 40.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -120.86 24.76 10.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -109.29 124.91 51.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.462 ' CD1' HD11 ' A' ' 23' ' ' ILE . 53.5 mt -77.71 148.37 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.195 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -112.29 133.86 54.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.1 pt -128.55 119.21 49.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.465 HG21 ' N ' ' A' ' 66' ' ' GLY . 30.6 m -127.9 143.43 51.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.465 ' N ' HG21 ' A' ' 65' ' ' THR . . . 158.0 -136.26 4.72 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.507 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 37.4 p -86.89 170.55 11.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.847 0.356 . . . . 0.0 111.181 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp -69.25 -25.5 64.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -93.76 -35.9 12.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.5 -52.87 35.79 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.503 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 72.3 mt -58.02 -47.26 87.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 0.0 111.177 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -53.19 -45.53 68.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -58.31 -52.64 64.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.62 -34.73 78.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 22.4 ttp85 -69.95 -35.59 74.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.563 ' CD2' HD11 ' A' ' 80' ' ' LEU . 56.3 t60 -73.69 -33.61 64.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -77.66 -44.62 27.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.4 p -65.5 -31.25 53.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.13 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.7 mt -79.97 -40.56 27.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.563 HD11 ' CD2' ' A' ' 76' ' ' HIS . 14.3 mt -60.98 -41.58 96.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 24.6 mt -66.94 -51.82 50.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 63.4 p -57.45 -45.14 85.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.65 -52.02 63.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -48.27 -46.49 35.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.56 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 73.0 mm-40 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.8 0.333 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.1 p -146.26 132.39 19.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.905 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.07 172.4 11.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 p -139.18 155.47 47.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.6 p -128.62 110.38 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.53 112.27 4.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.5 pt -140.37 156.54 69.65 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.64 0.733 . . . . 0.0 111.109 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.509 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 54.0 Cg_endo -69.74 149.9 67.62 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.685 2.257 . . . . 0.0 112.375 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -65.0 -6.01 7.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.456 ' CG ' ' HB2' ' A' ' 24' ' ' PRO . 1.3 pt-20 -92.53 -16.81 25.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.551 ' CE1' ' HB2' ' A' ' 85' ' ' GLN . 63.1 m170 -100.28 -14.36 18.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 5.8 m170 -58.36 -51.92 67.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -48.64 -47.09 40.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -53.71 -26.27 22.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.6 t -80.94 -37.6 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.153 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -68.59 -43.66 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.05 172.81 14.56 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.475 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -59.01 -63.36 1.33 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.753 0.311 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -110.78 11.27 22.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 94.14 49.46 2.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.478 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -122.74 -25.69 4.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.933 0.397 . . . . 0.0 110.896 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.402 ' HE2' ' CD1' ' A' ' 42' ' ' LEU . 23.7 tptm -62.28 -66.69 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.6 tp -42.95 -48.11 5.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -52.17 -56.72 12.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -54.77 -47.22 74.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.402 ' CD1' ' HE2' ' A' ' 38' ' ' LYS . 12.3 mt -56.58 -52.27 65.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -50.25 -40.08 46.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 47' ' ' ALA . 30.6 mt -76.9 -67.01 0.75 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -42.51 -40.01 2.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.8 p -94.06 -16.48 23.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 44' ' ' LEU . . . 54.91 42.28 31.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 75.7 p -118.04 175.58 5.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.07 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -110.76 87.73 2.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 68.3 mt -82.37 115.15 24.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.144 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -112.81 113.03 24.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 82.6 mt -100.84 136.22 19.86 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.629 0.728 . . . . 0.0 111.112 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 158.9 55.37 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.327 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -64.55 158.44 67.18 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.626 0.727 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -4.94 15.01 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.678 2.252 . . . . 0.0 112.375 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -117.67 -10.11 10.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.417 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.6 t70 -76.02 140.84 70.48 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.608 0.718 . . . . 0.0 110.855 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.417 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.2 Cg_endo -69.78 1.04 4.81 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.647 2.231 . . . . 0.0 112.319 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.2 m -93.38 122.14 35.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 -119.12 17.34 13.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -107.78 120.24 41.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.414 ' CG2' ' N ' ' A' ' 63' ' ' LYS . 42.2 mt -76.25 151.41 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.08 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.414 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 1.8 ttmp? -113.29 136.63 52.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.1 pt -131.66 122.18 49.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.084 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.1 m -127.47 144.74 51.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.129 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 151.78 -154.69 25.71 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.446 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 70' ' ' GLY . 1.0 OUTLIER -76.5 143.36 40.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.829 0.347 . . . . 0.0 111.203 -179.871 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -41.58 -31.4 0.27 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -80.79 -38.67 28.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 67' ' ' THR . . . -67.09 -53.59 25.53 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.483 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 69.4 mt -57.23 -41.36 77.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.797 0.332 . . . . 0.0 111.074 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -57.02 -50.24 73.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -53.81 -57.15 11.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.25 -37.05 76.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.0 ttt-85 -67.33 -38.43 84.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.461 ' CD2' HD13 ' A' ' 80' ' ' LEU . 22.6 t60 -71.66 -31.89 67.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.798 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -78.3 -49.13 14.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.3 p -60.46 -35.17 61.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.5 mt -75.57 -40.03 57.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.461 HD13 ' CD2' ' A' ' 76' ' ' HIS . 14.8 mt -63.4 -40.69 97.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.97 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 54.7 mt -66.5 -55.5 18.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 90.2 p -54.64 -44.7 73.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.18 -55.73 30.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.079 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -42.96 -47.27 5.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.551 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 70.9 mm-40 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.94 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.2 t -126.17 -46.25 1.66 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.875 0.369 . . . . 0.0 110.826 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.6 p -139.77 174.71 10.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.855 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.35 -140.21 11.57 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.4 p 39.07 43.8 0.85 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.806 0.336 . . . . 0.0 110.784 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.2 m -57.7 -51.16 70.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.84 168.93 3.43 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.519 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -148.15 109.54 4.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.828 0.347 . . . . 0.0 110.846 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 10' ' ' VAL . 34.2 mm -95.16 124.53 47.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.164 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.423 ' C ' ' O ' ' A' ' 9' ' ' ILE . 1.9 p -35.91 114.26 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -159.8 130.4 5.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.077 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 61.5 mtm180 -69.05 160.89 30.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -123.41 46.65 2.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -106.41 36.88 2.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 57.9 p -147.54 176.72 9.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 -127.17 137.75 53.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.943 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -120.97 168.57 11.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.099 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 m -146.52 130.37 17.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.16 175.84 5.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.163 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -139.13 159.48 42.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.159 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.45 ' CG1' ' HB ' ' A' ' 62' ' ' ILE . 4.3 p -133.08 109.52 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.99 109.74 5.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.163 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.7 pt -141.36 157.14 66.72 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.68 0.753 . . . . 0.0 111.091 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.479 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 54.2 Cg_endo -69.69 141.32 45.18 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.705 2.27 . . . . 0.0 112.37 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.4 mtmm -57.01 -12.05 1.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -81.53 -22.24 38.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.479 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 66.1 m170 -93.55 -22.97 18.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.41 ' ND1' HG21 ' A' ' 52' ' ' ILE . 8.2 m170 -49.58 -34.87 18.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.823 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -69.0 -41.22 78.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -62.66 -11.35 16.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.918 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 41.8 t -100.69 -27.14 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.069 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 81.5 mt -82.64 -40.96 17.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.08 164.06 13.29 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.46 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.1 ptpt -51.4 -52.28 47.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.79 0.329 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -110.81 -25.39 9.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 133.68 47.52 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.542 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -114.34 -37.01 4.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.958 0.409 . . . . 0.0 110.961 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.53 -65.66 0.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 tp -46.0 -45.58 15.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -53.42 -58.28 7.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.896 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -52.76 -43.17 65.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.5 mt -61.69 -55.6 28.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -48.78 -37.72 19.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.3 mt -78.61 -66.6 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -42.07 -40.57 2.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.9 p -94.39 -17.89 22.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.188 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 57.39 33.31 23.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.08 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 66.9 p -108.24 174.79 5.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -108.85 82.05 1.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 89.4 mt -71.23 137.86 22.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.142 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -135.72 113.7 11.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.84 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.41 HG21 ' ND1' ' A' ' 28' ' ' HIS . 53.4 mt -103.57 135.31 19.39 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.667 0.746 . . . . 0.0 111.045 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.484 ' CG ' ' O ' ' A' ' 59' ' ' SER . 53.3 Cg_endo -69.83 156.13 63.95 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.628 2.219 . . . . 0.0 112.354 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -60.81 156.16 47.75 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.543 0.687 . . . . 0.0 110.92 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -2.49 10.24 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.729 2.286 . . . . 0.0 112.273 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -116.26 -8.46 11.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.43 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 2.1 t70 -82.27 141.3 46.02 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.566 0.698 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.43 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.5 Cg_endo -69.73 3.38 2.79 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.666 2.244 . . . . 0.0 112.355 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.484 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 24.0 m -94.81 115.98 28.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.825 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 -112.34 12.26 20.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -103.97 123.11 46.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.453 ' CG2' ' N ' ' A' ' 63' ' ' LYS . 53.0 mt -78.56 154.68 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.453 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 33.7 ttmt -115.75 131.48 56.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.1 pt -127.37 120.3 54.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 50.9 m -122.98 145.88 48.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 152.05 -150.24 22.07 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.497 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 76.9 p -79.2 143.99 34.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 0.0 111.21 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? -40.9 -39.21 1.09 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -76.12 -42.28 47.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -59.58 -60.51 8.63 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.512 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 72.9 mt -51.78 -39.06 23.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.735 0.303 . . . . 0.0 111.111 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -60.19 -49.24 78.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.838 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -55.95 -44.01 78.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.22 -38.25 72.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.2 ttp-105 -69.03 -33.41 73.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -75.07 -32.62 61.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -80.02 -48.42 13.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.7 p -59.06 -33.42 50.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.7 mt -78.2 -45.96 21.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.8 mt -54.12 -42.07 69.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 19.4 mt -70.66 -52.86 25.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.181 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.3 m -58.1 -32.39 68.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.7 -51.23 43.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.081 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -47.75 -42.91 26.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.412 ' HB2' ' NE2' ' A' ' 27' ' ' HIS . 70.0 mm-40 -57.43 -40.72 79.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -61.81 -32.33 72.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.0 tptp -96.7 28.72 3.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 30.5 ptt-85 -58.4 171.03 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 44.0 m -130.85 -49.3 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -147.85 -158.38 7.89 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.532 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 95.96 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.714 2.276 . . . . 0.0 112.375 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.9 p -44.42 101.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.819 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 30.5 t -88.65 107.48 18.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.486 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -126.78 176.24 7.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.867 0.365 . . . . 0.0 110.855 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.1 p -114.22 159.21 20.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.855 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.18 -171.96 10.13 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.444 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -90.17 90.63 8.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.887 0.375 . . . . 0.0 110.879 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 t -57.6 154.78 10.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.78 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.36 72.31 1.07 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -90.16 45.57 1.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.738 0.304 . . . . 0.0 110.84 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.6 mp -85.59 147.18 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.7 p -150.93 152.86 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -164.47 176.18 9.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -60.67 118.56 6.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 pp -76.23 156.86 33.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.965 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -99.0 -43.67 6.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.6 p -128.53 172.3 11.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -94.44 138.11 32.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.986 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -102.84 164.97 11.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.126 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.2 p -148.98 131.86 16.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.47 175.74 7.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.119 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.4 p -139.18 151.47 46.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.181 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.7 p -126.31 102.27 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.2 114.02 2.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.487 HD12 ' CD2' ' A' ' 28' ' ' HIS . 8.6 pt -140.96 155.49 68.85 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.656 0.741 . . . . 0.0 111.112 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.516 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.9 Cg_endo -69.76 146.19 59.46 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.648 2.232 . . . . 0.0 112.398 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.2 tptp -57.25 -12.25 2.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -81.42 -22.99 37.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.847 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.563 ' CD2' ' HG3' ' A' ' 85' ' ' GLN . 62.0 m170 -91.43 -30.92 16.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.487 ' CD2' HD12 ' A' ' 23' ' ' ILE . 8.9 m-70 -47.62 -44.88 27.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 29' ' ' ARG . 4.6 ptp180 -63.06 -40.11 96.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -62.6 -30.06 71.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.6 t -78.23 -37.9 22.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.409 ' C ' ' HB3' ' A' ' 38' ' ' LYS . 77.5 mt -71.0 -39.34 74.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 34' ' ' LYS . . . 113.3 140.85 7.8 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 33' ' ' GLY . 22.5 tttt -34.73 -48.05 0.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.739 0.304 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -110.53 -31.04 7.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 132.32 46.3 0.12 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -120.86 -6.24 9.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.907 0.384 . . . . 0.0 110.901 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.409 ' HB3' ' C ' ' A' ' 32' ' ' ILE . 14.2 tptp -84.31 -24.8 29.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.6 tp -85.7 -46.86 10.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.401 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 6.0 pt20 -60.86 -42.75 98.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.972 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.401 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 4.3 t70 -66.44 -39.68 89.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.18 -54.37 30.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -48.2 -28.48 3.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.4 mt -88.29 -60.85 1.85 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -47.54 -34.73 7.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.7 p -99.45 -20.58 16.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.165 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 61.94 35.33 16.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.046 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 74.9 p -115.17 179.24 4.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -111.12 99.43 8.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 80.1 mt -88.25 116.07 29.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.158 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -115.15 107.82 15.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.459 ' CG2' ' HD2' ' A' ' 53' ' ' PRO . 53.9 mt -98.55 138.34 20.76 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.652 0.739 . . . . 0.0 111.087 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.459 ' HD2' ' CG2' ' A' ' 52' ' ' ILE . 54.1 Cg_endo -69.77 157.2 61.18 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.687 2.258 . . . . 0.0 112.41 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 38.8 mtt-85 -53.68 160.27 2.12 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.61 0.719 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.89 -7.64 21.6 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.653 2.235 . . . . 0.0 112.267 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -126.95 19.17 7.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.414 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 2.6 t70 -92.33 141.07 24.5 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.597 0.713 . . . . 0.0 110.825 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.414 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.8 Cg_endo -69.81 1.81 4.13 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.673 2.249 . . . . 0.0 112.335 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.7 m -101.98 120.47 40.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -115.85 28.07 8.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -114.41 118.0 32.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.465 ' CD1' HD11 ' A' ' 23' ' ' ILE . 40.4 mt -74.66 149.25 7.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -110.84 136.3 50.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.897 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -131.0 124.02 55.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.184 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.442 HG22 ' N ' ' A' ' 66' ' ' GLY . 33.5 m -129.85 142.35 50.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.175 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.442 ' N ' HG22 ' A' ' 65' ' ' THR . . . 154.77 -150.67 22.28 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.485 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 p -76.78 143.33 39.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.838 0.352 . . . . 0.0 111.166 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -41.08 -34.44 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.856 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -79.91 -44.86 19.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -57.04 -53.83 41.58 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 76.5 mt -56.39 -42.12 73.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 111.178 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -58.37 -46.71 85.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -56.27 -51.83 66.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.837 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.15 -37.07 84.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.107 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -69.65 -30.84 68.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 59.6 t60 -76.77 -30.83 56.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -81.15 -46.22 15.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 8.4 p -62.65 -31.95 53.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.075 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 15.7 mt -79.88 -41.49 26.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.0 mt -59.37 -41.12 88.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.92 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 22.1 mt -68.47 -50.94 51.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.198 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 24.1 p -57.91 -41.86 83.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.1 -54.06 51.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -46.29 -46.95 18.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.563 ' HG3' ' CD2' ' A' ' 27' ' ' HIS . 51.9 mm-40 -53.08 -48.96 67.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.959 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -49.68 -45.18 48.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 40.1 tttm -62.82 -57.38 11.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -71.01 171.91 10.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 87.8 p 41.65 40.35 1.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -173.72 -168.76 35.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.512 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 165.68 30.05 Favored 'Trans proline' 0 C--O 1.23 0.123 0 C-N-CA 122.775 2.317 . . . . 0.0 112.314 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 90.0 p -126.75 150.35 49.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.6 t -108.91 130.77 55.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.828 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.501 179.969 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.2 m -98.85 134.69 41.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.862 0.363 . . . . 0.0 110.863 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.7 p -170.81 158.71 6.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.41 52.69 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.473 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -97.62 117.98 33.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.854 0.359 . . . . 0.0 110.907 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.7 t -61.01 -57.15 13.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.34 134.27 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.52 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -163.01 123.78 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.36 . . . . 0.0 110.84 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -97.78 154.64 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.7 m -97.82 165.31 2.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.141 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -136.51 116.67 13.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 -136.98 170.87 15.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -100.25 132.51 45.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -152.94 178.23 9.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.9 p -68.04 177.1 2.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.075 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -112.78 163.52 14.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -95.83 169.27 10.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.2 p -147.26 123.8 11.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.31 170.13 10.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.02 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 p -139.13 148.26 43.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.183 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.3 p -123.79 106.94 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.73 117.6 7.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.466 HD11 ' CD1' ' A' ' 62' ' ' ILE . 5.3 pt -144.39 156.65 57.12 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.626 0.727 . . . . 0.0 111.133 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.515 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 54.0 Cg_endo -69.74 151.27 69.14 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.725 2.283 . . . . 0.0 112.319 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.2 tptp -58.46 -17.82 23.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.515 ' HG3' ' CD2' ' A' ' 27' ' ' HIS . 2.5 pt-20 -78.52 -21.15 49.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.531 ' NE2' ' CB ' ' A' ' 85' ' ' GLN . 66.6 m170 -95.07 -11.52 28.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.459 ' CD2' HD12 ' A' ' 23' ' ' ILE . 7.2 m170 -70.42 -33.03 70.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -76.85 -28.87 55.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -74.11 -9.3 58.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 62.8 t -103.02 -26.03 3.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 59.8 mt -83.76 -39.67 15.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.49 160.84 11.87 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.482 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 35' ' ' ASN . 27.3 pttt -55.11 -44.88 75.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.686 0.279 . . . . 0.0 110.837 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.4 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 48.3 m-20 -111.07 -26.88 9.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 127.1 50.42 0.16 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.486 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -123.37 -24.83 4.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.958 0.408 . . . . 0.0 110.928 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -56.27 -55.4 33.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.7 tp -54.16 -42.82 70.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -55.05 -62.21 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -49.06 -36.43 18.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.4 mt -67.95 -56.41 9.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -49.05 -25.53 2.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.6 mt -89.0 -63.98 1.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -46.25 -37.46 7.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.4 p -97.7 -15.61 20.3 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.128 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 54.88 33.08 19.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.077 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 64.0 p -108.51 173.99 6.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.152 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -110.07 82.67 1.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 67.8 mt -72.2 135.59 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -131.92 107.71 8.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.46 ' CG2' ' HD2' ' A' ' 53' ' ' PRO . 43.6 mt -96.77 138.13 21.38 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.578 0.704 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.46 ' HD2' ' CG2' ' A' ' 52' ' ' ILE . 53.2 Cg_endo -69.87 160.3 50.18 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.641 2.227 . . . . 0.0 112.331 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -72.8 156.85 89.56 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.592 0.711 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -15.63 37.12 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.655 2.236 . . . . 0.0 112.33 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -95.06 -16.43 22.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.844 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.425 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 2.5 t70 -87.52 140.62 31.87 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.617 0.722 . . . . 0.0 110.883 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.425 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 54.4 Cg_endo -69.68 3.12 2.92 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 2.262 . . . . 0.0 112.377 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.5 m -88.54 123.15 32.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -126.06 26.97 6.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -109.77 118.53 36.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.961 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.466 ' CD1' HD11 ' A' ' 23' ' ' ILE . 46.6 mt -73.95 148.33 8.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.977 0.418 . . . . 0.0 111.115 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.5 tttt -115.71 134.93 54.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.945 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.433 ' CD1' HG21 ' A' ' 71' ' ' ILE . 1.1 pt -127.84 126.89 67.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.136 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.6 m -129.29 138.33 51.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 157.59 -152.91 24.18 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.427 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 62.8 p -81.42 144.11 31.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.883 0.373 . . . . 0.0 111.185 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -40.68 -34.36 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -77.28 -44.03 31.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -61.93 -58.31 13.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.517 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.433 HG21 ' CD1' ' A' ' 64' ' ' ILE . 68.2 mt -51.59 -41.86 28.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.797 0.332 . . . . 0.0 111.141 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -54.34 -48.94 70.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -54.74 -56.77 15.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.004 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.26 -37.09 79.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.047 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.8 ttp85 -68.58 -36.56 78.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -70.26 -28.82 65.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -82.84 -50.15 8.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.1 p -60.08 -29.97 44.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.188 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.8 mt -81.74 -35.45 29.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.7 mt -66.83 -46.55 74.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 40.9 mt -58.54 -58.76 5.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.178 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 64.1 p -52.82 -49.53 65.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -47.73 -54.7 11.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.082 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -50.77 -44.18 58.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.531 ' CB ' ' NE2' ' A' ' 27' ' ' HIS . 43.3 mm-40 -59.54 -52.29 66.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.91 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.423 ' OD1' ' C ' ' A' ' 86' ' ' ASP . 2.7 t0 -41.84 -42.04 2.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 23.2 ttmt -68.3 -66.19 0.6 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -63.21 146.14 54.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.822 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 34.3 t -68.06 -58.24 4.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 152.44 -95.08 0.15 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.43 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 92' ' ' SER . 53.8 Cg_endo -69.74 -11.23 30.43 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.67 2.247 . . . . 0.0 112.324 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 91' ' ' PRO . 1.2 t -35.5 137.89 0.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 79.3 p -61.34 128.94 38.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.811 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.464 179.965 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.5 m -83.46 111.53 19.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.341 . . . . 0.0 110.893 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.8 t -49.09 -50.69 35.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.828 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.59 147.61 11.13 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.466 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.3 p -156.89 145.79 20.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.947 0.403 . . . . 0.0 110.874 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -131.22 119.54 21.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.45 54.59 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.511 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -81.9 85.89 6.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.794 0.33 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.416 HD12 ' C ' ' A' ' 9' ' ' ILE . 2.7 pp -59.55 158.01 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.6 t -51.9 112.31 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.31 130.63 43.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.083 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -136.92 122.56 19.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.0 mp -109.71 96.11 6.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.965 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -73.35 -59.39 2.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.9 t -165.51 172.13 12.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.102 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -41.08 130.82 2.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -101.7 170.06 8.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.6 p -149.66 124.41 9.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.844 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -123.8 169.68 11.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.106 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 p -139.05 160.55 39.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.7 p -134.19 111.85 15.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.01 112.2 5.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.103 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.8 pt -142.21 156.4 64.52 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.643 0.735 . . . . 0.0 111.14 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 140.76 43.37 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.645 2.23 . . . . 0.0 112.357 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.4 mmmm -53.57 -15.27 1.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.438 ' O ' ' NH1' ' A' ' 29' ' ' ARG . 2.9 pt-20 -75.63 -29.22 59.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.494 ' CE1' ' HB2' ' A' ' 85' ' ' GLN . 64.7 m170 -91.45 -9.76 43.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.777 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -64.86 -38.58 91.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.438 ' NH1' ' O ' ' A' ' 26' ' ' GLU . 3.5 ptp85 -73.01 -30.04 63.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -68.64 -19.71 64.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 88.9 t -93.18 -33.12 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.414 ' C ' ' HB3' ' A' ' 38' ' ' LYS . 92.3 mt -71.38 -43.24 73.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 34' ' ' LYS . . . 124.46 140.33 5.49 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.52 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 33' ' ' GLY . 44.5 tttm -37.93 -45.42 0.87 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.839 0.352 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -111.34 -28.73 8.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.2 44.02 0.26 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.441 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -126.06 -6.86 6.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.913 0.387 . . . . 0.0 110.879 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.414 ' HB3' ' C ' ' A' ' 32' ' ' ILE . 21.9 tptm -75.2 -48.63 22.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.7 tp -57.42 -46.77 83.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -49.28 -61.24 2.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -48.05 -43.36 30.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.1 mt -61.71 -53.45 55.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -49.07 -32.94 10.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 47' ' ' ALA . 28.4 mt -83.62 -66.9 0.84 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -40.11 -36.67 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 29.2 p -100.6 -16.52 17.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.167 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 44' ' ' LEU . . . 57.43 35.42 25.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 64.3 p -110.04 175.97 5.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.182 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -113.1 77.15 1.02 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 70.6 mt -66.61 126.48 26.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -123.73 114.95 20.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.466 ' CG2' ' HD2' ' A' ' 53' ' ' PRO . 38.0 mt -102.24 138.25 19.67 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.686 0.755 . . . . 0.0 111.122 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.466 ' HD2' ' CG2' ' A' ' 52' ' ' ILE . 53.4 Cg_endo -69.81 154.92 66.98 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.714 2.276 . . . . 0.0 112.318 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 35.2 mtp180 -67.53 158.8 81.27 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.559 0.695 . . . . 0.0 110.943 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -19.0 36.89 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.705 2.27 . . . . 0.0 112.352 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -90.33 -27.04 19.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.805 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.422 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 2.1 t70 -77.16 140.99 66.39 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.631 0.729 . . . . 0.0 110.817 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.422 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.9 Cg_endo -69.77 -0.11 6.45 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.73 2.287 . . . . 0.0 112.284 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.8 m -80.97 122.9 27.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -124.82 21.97 8.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -109.17 120.96 44.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 51.9 mt -73.99 149.94 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.17 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.8 tttm -114.87 136.79 52.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.1 pt -131.28 115.15 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.16 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.9 m -118.26 133.04 56.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 166.01 -146.3 10.89 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.533 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 47.7 p -83.4 164.52 19.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.368 . . . . 0.0 111.117 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -61.32 -30.11 70.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -87.01 -42.4 13.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.946 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -61.22 -56.6 22.82 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 78.6 mt -52.25 -43.29 39.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.82 0.343 . . . . 0.0 111.134 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -51.33 -59.67 3.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -45.57 -56.08 5.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.18 -41.34 83.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.152 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.421 ' NH1' ' HB3' ' A' ' 75' ' ' ARG . 5.8 ttp-105 -65.74 -33.07 75.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.543 ' CD2' HD11 ' A' ' 80' ' ' LEU . 57.2 t60 -75.32 -34.95 61.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -74.22 -44.8 51.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.1 p -64.85 -38.36 82.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.0 mt -71.24 -38.55 71.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.543 HD11 ' CD2' ' A' ' 76' ' ' HIS . 16.4 mt -62.76 -51.0 68.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 36.3 mt -55.24 -60.8 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 24.6 p -56.39 -43.74 79.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.83 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.49 -41.8 77.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.175 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -65.65 -40.45 92.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.494 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 62.3 mm-40 -56.96 -35.58 69.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.921 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -54.04 -34.32 59.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.92 -64.68 1.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.83 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -63.91 125.23 23.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.4 t -118.78 -47.9 2.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 164.29 151.45 6.53 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.409 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 117.84 5.32 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.672 2.248 . . . . 0.0 112.326 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 26.0 m -126.84 -54.85 1.4 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.1 t -55.65 135.01 51.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.798 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.221 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.45 179.934 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t 58.31 42.03 22.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.361 . . . . 0.0 110.889 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.0 p -83.28 109.22 17.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.01 145.68 7.72 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 t -146.52 148.52 32.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 110.814 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.7 p -173.51 176.34 2.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.809 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.9 155.87 9.01 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.517 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -169.58 135.78 1.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.746 0.308 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.5 mt -65.49 129.29 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.156 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.7 m -87.43 52.32 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.188 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 58.7 45.96 15.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.145 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 36.0 mtm180 -85.9 161.68 18.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 51.9 mt -67.81 172.26 5.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -116.1 79.77 1.36 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.9 m -133.37 146.09 50.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -52.38 137.59 28.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -101.44 165.34 11.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 p -149.28 124.21 9.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.86 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -119.45 170.39 9.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.044 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.1 p -139.1 149.39 44.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.115 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.5 p -124.96 109.9 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.6 115.93 8.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.5 pt -141.54 158.11 64.0 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.648 0.737 . . . . 0.0 111.129 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.523 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.2 Cg_endo -69.74 149.58 67.22 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.653 2.235 . . . . 0.0 112.381 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -11.59 10.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.432 ' O ' ' CE1' ' A' ' 30' ' ' PHE . 2.2 pt-20 -88.7 -11.72 44.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.523 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 59.2 m170 -105.7 -10.89 16.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.857 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -65.77 -47.39 75.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -62.77 -29.36 70.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.432 ' CE1' ' O ' ' A' ' 26' ' ' GLU . 23.8 m-85 -64.0 -32.72 74.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 77.5 t -79.91 -32.95 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.138 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.414 ' C ' ' HB3' ' A' ' 38' ' ' LYS . 96.8 mt -69.48 -44.93 79.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 119.13 164.16 12.65 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.443 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -39.55 -61.41 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.34 . . . . 0.0 110.935 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -111.25 -34.79 6.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 150.94 54.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.412 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -122.05 -45.49 2.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.351 . . . . 0.0 110.833 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.414 ' HB3' ' C ' ' A' ' 32' ' ' ILE . 14.4 tptm -41.58 -59.54 1.59 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.968 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.9 tp -51.24 -42.46 61.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 -54.59 -55.87 24.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -58.32 -45.99 87.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.9 mt -56.73 -55.07 38.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 47' ' ' ALA . 20.9 mt-10 -47.26 -41.38 18.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 47' ' ' ALA . 32.6 mt -74.66 -66.91 0.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.8 ttpt -42.18 -33.66 0.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 22.4 p -102.29 -15.31 16.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . 52.02 39.8 27.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.042 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 68.1 p -114.96 175.47 5.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.133 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -109.22 82.8 1.65 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.846 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 80.4 mt -72.58 128.2 35.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.165 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -127.74 110.31 12.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.96 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 36.3 mt -99.67 134.83 20.8 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.648 0.737 . . . . 0.0 111.156 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.445 ' CG ' ' O ' ' A' ' 59' ' ' SER . 53.9 Cg_endo -69.69 151.07 69.36 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.7 2.267 . . . . 0.0 112.308 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -58.18 157.62 16.28 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.629 0.728 . . . . 0.0 110.846 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.9 -17.35 36.99 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.665 2.243 . . . . 0.0 112.375 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -97.55 -22.73 16.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -69.98 139.28 87.87 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.623 0.725 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 3.2 2.89 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.717 2.278 . . . . 0.0 112.385 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.445 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 12.7 m -97.61 118.9 35.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.817 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -118.8 30.83 6.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -112.0 119.56 38.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 43.8 mt -74.56 148.1 8.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -112.89 134.24 54.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.1 pt -130.46 120.3 48.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.155 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.457 HG23 ' N ' ' A' ' 66' ' ' GLY . 30.3 m -125.3 145.81 49.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.066 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.457 ' N ' HG23 ' A' ' 65' ' ' THR . . . 153.6 -150.25 21.9 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.409 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 75.2 p -78.59 144.04 35.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.894 0.378 . . . . 0.0 111.054 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -39.41 -36.66 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -80.97 -42.58 21.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -56.6 -59.28 11.05 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 71.8 mt -53.2 -44.99 54.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.779 0.323 . . . . 0.0 111.119 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -53.12 -48.07 68.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -54.19 -57.79 9.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.805 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.18 -34.9 75.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.8 ttp85 -68.77 -35.03 76.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.544 ' CD2' HD12 ' A' ' 80' ' ' LEU . 35.6 t60 -75.15 -39.57 60.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.796 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -70.67 -49.55 46.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.8 p -58.01 -35.19 51.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.2 mt -75.47 -39.01 59.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.544 HD12 ' CD2' ' A' ' 76' ' ' HIS . 11.8 mt -62.41 -41.51 98.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 19.1 mt -65.85 -57.46 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.8 t -52.85 -45.03 67.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.45 -54.78 39.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.032 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -51.08 -43.02 60.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.464 ' CB ' ' NE2' ' A' ' 27' ' ' HIS . 76.5 mm-40 -56.16 -54.34 46.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -40.78 -43.46 2.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 53.1 tttt -63.68 -50.63 68.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -64.99 141.74 58.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.7 m 46.2 40.07 6.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -149.73 -158.14 8.01 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.54 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 93.64 0.52 Allowed 'Trans proline' 0 C--N 1.34 0.118 0 C-N-CA 122.717 2.278 . . . . 0.0 112.362 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.7 m -72.94 118.5 15.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 54.5 m -99.24 135.59 40.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.787 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.452 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.427 -0.269 . . . . 0.0 112.427 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -82.25 -60.82 2.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.818 0.342 . . . . 0.0 110.849 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.0 m 61.6 41.86 11.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.71 79.39 0.28 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.515 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.4 p -134.23 148.2 50.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.856 0.36 . . . . 0.0 110.959 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.3 m 43.83 42.81 4.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.12 -89.26 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.7 t0 47.82 51.2 14.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.738 0.304 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.467 ' N ' HD13 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -68.26 153.52 8.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.3 p -112.37 154.37 13.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.74 113.43 9.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.134 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -93.78 141.87 28.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 33.6 mt -146.36 163.25 36.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.96 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -126.82 73.88 1.44 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.9 p -120.68 165.41 15.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -130.82 139.58 50.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.968 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -110.88 162.72 14.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.143 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 p -149.38 124.7 10.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -116.89 175.32 5.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.087 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -139.21 154.81 48.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.191 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.1 p -129.56 110.46 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.198 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.39 111.41 5.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.9 pt -143.15 156.38 61.46 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.677 0.751 . . . . 0.0 111.111 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.511 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.6 Cg_endo -69.7 140.89 44.03 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.82 2.347 . . . . 0.0 112.282 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.6 mtmm -55.83 -13.48 1.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.822 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -79.56 -25.0 41.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.511 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 67.4 m170 -90.77 -17.94 25.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.83 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -54.78 -36.76 65.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -64.74 -41.75 95.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -58.62 -25.06 62.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.4 t -88.28 -36.99 9.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.13 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.401 ' C ' ' HB3' ' A' ' 38' ' ' LYS . 87.9 mt -67.82 -42.22 85.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.08 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 116.19 168.1 15.04 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.49 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -58.38 -51.85 68.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.734 0.302 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -109.27 -17.37 13.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 122.02 54.52 0.22 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -128.45 -30.19 2.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.938 0.399 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.401 ' HB3' ' C ' ' A' ' 32' ' ' ILE . 13.1 tptm -56.11 -24.36 40.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.4 tp -89.29 -42.97 11.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -64.82 -40.74 95.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -70.85 -36.88 73.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.0 mt -63.8 -51.45 64.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -55.78 -31.06 62.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 42.0 mt -80.02 -63.65 1.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.7 ttpp -47.17 -38.47 11.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.2 p -95.02 -19.99 19.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.165 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 61.74 47.3 6.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.143 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 65.3 p -123.91 176.75 6.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -112.25 85.35 2.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 60.7 mt -77.92 130.16 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.064 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -127.48 109.18 11.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 81.1 mt -97.55 134.32 22.65 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.645 0.736 . . . . 0.0 111.162 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.466 ' CG ' ' O ' ' A' ' 59' ' ' SER . 53.7 Cg_endo -69.72 152.57 69.52 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.726 2.284 . . . . 0.0 112.359 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -60.78 156.97 42.29 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.516 0.674 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -2.39 10.14 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.687 2.258 . . . . 0.0 112.306 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -116.03 -6.21 11.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.426 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.4 t70 -87.0 141.11 32.98 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.558 0.694 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.426 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 54.5 Cg_endo -69.69 2.9 3.08 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.667 2.245 . . . . 0.0 112.392 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.466 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 36.4 m -92.23 120.35 32.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.776 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -117.45 5.69 12.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -98.63 119.12 36.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.409 ' CG2' ' N ' ' A' ' 63' ' ' LYS . 43.9 mt -76.83 151.98 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.178 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.409 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 26.2 ttpt -114.68 129.5 56.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.861 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.464 ' CD1' HG21 ' A' ' 71' ' ' ILE . 1.1 pt -123.33 116.98 50.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.138 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.437 HG23 ' N ' ' A' ' 66' ' ' GLY . 60.6 m -118.01 139.17 51.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.437 ' N ' HG23 ' A' ' 65' ' ' THR . . . 160.09 -155.93 27.11 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.527 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 69' ' ' GLU . 34.7 p -76.75 139.64 40.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.909 0.385 . . . . 0.0 111.127 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 67' ' ' THR . 8.0 tmtt? -36.45 -30.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 67' ' ' THR . 18.5 mm-40 -83.43 -46.68 12.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 67' ' ' THR . . . -57.12 -60.81 8.35 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.432 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.464 HG21 ' CD1' ' A' ' 64' ' ' ILE . 73.6 mt -49.48 -42.72 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 0.0 111.088 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -55.53 -52.47 63.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.962 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 30.3 mttp -51.09 -55.0 19.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.62 -36.53 83.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.1 ttp85 -67.47 -33.12 74.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -74.07 -41.79 61.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -67.8 -51.71 45.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.5 p -56.57 -34.13 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.082 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.1 mt -77.21 -41.73 40.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.1 mt -60.28 -43.55 96.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 25.1 mt -66.3 -54.99 20.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.4 t -53.85 -47.43 71.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.55 -47.08 76.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.095 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -52.37 -41.55 63.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.417 ' HB2' ' NE2' ' A' ' 27' ' ' HIS . 50.6 mm-40 -66.63 -42.96 85.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.35 -33.82 6.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.794 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -67.25 -66.11 0.6 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.86 166.38 1.47 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.847 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 27.0 t -136.66 156.39 48.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -130.49 -158.2 9.24 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.471 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 163.96 36.36 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.726 2.284 . . . . 0.0 112.26 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.1 t -74.95 164.8 26.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 64.5 p -63.88 118.48 8.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.448 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 1' ' ' GLY . 1.9 m 34.52 50.45 0.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.865 0.364 . . . . 0.0 110.792 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.9 m -97.29 119.95 36.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.827 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.82 -161.74 27.53 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.522 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.3 p -149.48 169.2 21.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.867 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.2 p -147.87 141.39 25.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.12 104.94 1.03 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.438 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.89 138.14 33.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.819 0.342 . . . . 0.0 110.868 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 46.3 mm -103.23 124.77 57.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.5 m -89.53 47.39 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.149 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.82 155.7 3.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 12' ' ' ARG . 5.1 mmm180 -112.99 130.79 56.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.5 mp -102.6 115.33 30.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -96.13 -53.55 3.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.95 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.5 p -99.75 171.26 8.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.094 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -120.02 150.27 40.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -115.24 151.05 35.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.078 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.0 p -137.05 126.21 24.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -118.94 174.1 6.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.179 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 p -139.09 157.7 45.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.125 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.7 p -132.73 105.57 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.79 114.98 4.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.079 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.412 HD13 ' CD1' ' A' ' 62' ' ' ILE . 10.3 pt -144.55 155.31 56.95 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.653 0.739 . . . . 0.0 111.114 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.447 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.1 Cg_endo -69.84 145.28 56.23 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.7 2.266 . . . . 0.0 112.319 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -57.74 -11.9 2.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.401 ' OE2' ' O ' ' A' ' 26' ' ' GLU . 3.1 tp10 -80.45 -31.59 37.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.475 ' NE2' ' CB ' ' A' ' 85' ' ' GLN . 64.9 m170 -86.65 -16.61 36.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -56.69 -54.54 44.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -50.08 -42.39 49.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -57.38 -31.44 65.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.826 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.1 t -78.4 -36.55 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.173 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 41.9 mt -72.52 -41.36 63.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.116 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.2 148.46 8.8 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.531 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 35' ' ' ASN . 37.1 pttt -47.31 -43.07 22.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.717 0.294 . . . . 0.0 110.871 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.417 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 1.0 OUTLIER -109.8 -25.85 10.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.885 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 123.18 51.0 0.21 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.53 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -126.51 -28.11 3.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.892 0.377 . . . . 0.0 110.91 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.2 tptt -56.17 -26.41 50.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.7 tp -87.65 -43.87 11.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -63.69 -38.74 92.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -72.51 -33.61 67.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.6 mt -70.84 -51.32 27.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -52.35 -29.38 23.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.1 mt -83.89 -65.89 0.96 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.969 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.7 ttpp -45.29 -35.8 3.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 27.8 p -99.54 -11.2 21.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.133 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 50.58 42.91 27.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 53.7 p -116.39 -178.82 3.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.21 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.3 tppt? -116.21 82.38 1.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 73.7 mt -75.37 119.99 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.104 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -121.6 107.07 11.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.468 ' CG2' ' HD2' ' A' ' 53' ' ' PRO . 56.1 mt -91.68 138.64 25.01 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.556 0.693 . . . . 0.0 111.17 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.468 ' HD2' ' CG2' ' A' ' 52' ' ' ILE . 52.9 Cg_endo -69.87 145.89 57.91 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.686 2.257 . . . . 0.0 112.315 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 29.1 mtt85 -57.36 156.78 14.5 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.565 0.698 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.67 -13.03 34.29 Favored 'Trans proline' 0 C--O 1.231 0.125 0 C-N-CA 122.672 2.248 . . . . 0.0 112.385 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -97.26 -24.51 15.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.426 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.4 t70 -77.7 141.12 64.14 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.574 0.702 . . . . 0.0 110.847 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.426 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 54.1 Cg_endo -69.72 0.35 5.75 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.702 2.268 . . . . 0.0 112.32 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.467 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 16.8 m -83.23 120.54 25.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.839 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -121.54 21.23 10.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -108.62 121.78 45.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.412 ' CD1' HD13 ' A' ' 23' ' ' ILE . 53.4 mt -75.26 149.28 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -113.92 132.51 55.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.1 pt -127.61 114.94 37.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.6 m -125.33 138.42 54.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 161.57 -141.51 7.35 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.494 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.2 p -81.21 139.62 35.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.863 0.363 . . . . 0.0 111.124 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.0 ttmt -42.61 -33.65 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.959 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -83.58 -35.5 24.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.51 -52.4 35.27 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 83.0 mt -55.01 -48.31 75.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.796 0.331 . . . . 0.0 111.117 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -53.46 -44.17 68.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -58.38 -53.6 56.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.793 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.17 -33.77 76.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -68.97 -37.08 78.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.56 ' CD2' HD12 ' A' ' 80' ' ' LEU . 27.3 t60 -71.19 -33.51 70.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -76.88 -50.92 12.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.6 p -56.96 -37.85 56.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.173 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.5 mt -73.82 -39.76 63.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.56 HD12 ' CD2' ' A' ' 76' ' ' HIS . 12.1 mt -61.19 -41.44 96.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.981 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 21.0 mt -69.93 -49.11 59.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.162 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 67.1 p -60.04 -42.14 93.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.89 -55.55 33.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.055 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -45.65 -43.76 12.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.475 ' CB ' ' NE2' ' A' ' 27' ' ' HIS . 71.5 mm-40 -54.85 -41.81 71.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -61.67 -34.4 75.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -69.29 -36.78 77.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -43.0 -50.62 5.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 82.5 p -147.59 113.02 5.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -146.51 -157.19 7.22 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.503 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 93.18 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.719 2.28 . . . . 0.0 112.327 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.6 m 39.14 41.23 0.58 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.1 p -104.66 137.21 42.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.83 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.525 179.985 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -86.1 -47.48 9.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 0.0 110.846 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.4 p -73.09 -53.67 10.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 101.65 97.0 2.3 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 4' ' ' GLY . 8.2 m -37.19 115.86 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.868 0.366 . . . . 0.0 110.88 -179.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.5 t -114.54 131.35 56.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.84 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.6 143.88 5.96 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.462 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.426 ' C ' ' OD1' ' A' ' 8' ' ' ASP . 37.6 t0 -139.33 119.48 13.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.762 0.315 . . . . 0.0 110.847 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.414 HG22 ' N ' ' A' ' 10' ' ' VAL . 57.5 mt -84.16 135.12 25.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.465 HG21 ' N ' ' A' ' 11' ' ' ALA . 14.8 p -118.22 144.59 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.179 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.465 ' N ' HG21 ' A' ' 10' ' ' VAL . . . -171.75 112.84 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -51.82 174.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -116.46 127.32 54.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -70.52 -47.31 61.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.2 p -157.34 -179.17 7.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -41.85 137.14 1.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.965 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -112.21 152.49 28.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.044 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.2 p -141.58 128.49 20.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.81 170.76 9.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.4 p -138.98 159.35 42.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.7 p -132.97 107.58 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.11 116.22 6.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.062 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.456 HD11 ' CD1' ' A' ' 62' ' ' ILE . 8.5 pt -145.83 155.69 52.01 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.613 0.72 . . . . 0.0 111.195 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.501 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.4 Cg_endo -69.71 139.41 40.33 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -51.03 -17.74 0.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.84 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -74.36 -33.45 63.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.505 ' NE2' ' CB ' ' A' ' 85' ' ' GLN . 63.0 m170 -85.42 -12.24 52.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -63.07 -42.35 99.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -66.41 -19.45 65.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -80.02 -26.8 39.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.5 t -82.44 -32.72 10.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.156 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.7 mt -72.33 -44.18 63.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.123 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 34' ' ' LYS . . . 122.98 162.98 11.67 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 33' ' ' GLY . 21.6 tttt -37.27 -61.46 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.771 0.319 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 -112.08 -34.42 5.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 150.12 57.1 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.469 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -130.45 -44.26 1.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.898 0.38 . . . . 0.0 110.879 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.5 tptt -40.07 -57.51 1.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.5 tp -53.51 -44.57 69.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.941 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.8 mm100 -49.75 -57.45 7.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.98 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -56.08 -45.22 79.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.7 mt -55.73 -59.91 4.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 47' ' ' ALA . 29.8 mt-10 -42.09 -39.28 1.92 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 47' ' ' ALA . 20.9 mt -76.73 -66.62 0.79 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -40.17 -36.49 0.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 20.1 p -101.0 -17.16 16.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . 57.41 34.52 24.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 63.3 p -109.68 173.69 6.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.5 tppt? -109.29 86.14 2.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 77.3 mt -78.59 120.78 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.122 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -121.27 112.91 19.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.458 ' CG2' ' HD2' ' A' ' 53' ' ' PRO . 51.8 mt -96.39 138.02 21.54 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.614 0.721 . . . . 0.0 111.12 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.497 ' CG ' ' O ' ' A' ' 59' ' ' SER . 53.3 Cg_endo -69.77 151.7 69.07 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.655 2.237 . . . . 0.0 112.306 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -61.2 155.64 55.0 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.59 0.709 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -9.83 27.1 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.682 2.255 . . . . 0.0 112.332 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -103.21 -21.61 13.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.849 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.42 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.5 t70 -75.82 141.27 71.71 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.614 0.721 . . . . 0.0 110.788 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.42 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.6 Cg_endo -69.75 -0.53 7.04 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.715 2.276 . . . . 0.0 112.371 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.497 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 9.0 m -90.02 113.22 24.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 -113.57 25.21 11.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -109.07 122.14 46.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.456 ' CD1' HD11 ' A' ' 23' ' ' ILE . 46.9 mt -74.67 150.32 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.098 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.5 tttp -114.25 139.38 49.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -136.1 115.2 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 98.0 m -120.65 150.11 41.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 149.7 -143.87 11.32 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.446 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 57.8 p -80.74 163.88 23.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.853 0.358 . . . . 0.0 111.127 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.2 mmmt -63.56 -24.64 67.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -92.29 -36.78 13.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.19 -55.91 21.09 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.42 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 71.9 mt -54.89 -46.63 75.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.786 0.327 . . . . 0.0 111.14 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -52.42 -46.83 66.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -56.49 -54.13 49.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.35 -35.77 80.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.101 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -68.16 -41.43 81.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -69.8 -27.92 65.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -82.92 -49.73 9.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.3 p -59.13 -37.18 66.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.5 mt -72.05 -42.2 66.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.6 mt -58.2 -52.48 65.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.93 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 31.6 mt -60.48 -53.12 53.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.8 m -55.2 -36.43 65.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.06 -53.69 41.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.099 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -46.23 -41.36 12.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.505 ' CB ' ' NE2' ' A' ' 27' ' ' HIS . 70.8 mm-40 -57.47 -46.34 83.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.922 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -40.74 -42.41 1.76 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 41.2 tttt -62.75 -50.86 69.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -89.17 89.24 7.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.824 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 32.8 t -158.19 169.63 24.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.811 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 88.23 -178.88 46.47 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.527 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -16.12 37.29 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.712 2.275 . . . . 0.0 112.304 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.0 m -60.7 142.88 55.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.848 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 78.6 p -84.07 136.99 33.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.805 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.8 p -171.63 167.16 6.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.363 . . . . 0.0 110.86 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.5 p -155.85 176.68 12.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.872 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.31 -164.37 10.67 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.405 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 t -158.1 173.41 16.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.964 0.411 . . . . 0.0 110.829 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -143.14 155.24 44.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.798 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.19 100.39 0.29 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.44 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -123.18 90.14 3.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.714 0.293 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.8 mt -95.97 121.17 46.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.6 t -120.82 127.39 75.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.159 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -151.4 171.7 17.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -56.45 111.06 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.85 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.7 mt -141.12 128.21 20.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -73.0 -49.12 30.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 26.4 m -61.22 151.99 30.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -57.18 150.61 17.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -123.16 161.56 24.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.083 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.1 t -150.41 156.36 41.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -140.96 170.27 16.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.098 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.3 p -138.98 155.99 47.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.1 p -132.64 109.38 14.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.125 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.53 115.15 4.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.019 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.4 pt -142.37 155.71 64.25 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.665 0.745 . . . . 0.0 111.106 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.513 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.7 Cg_endo -69.79 137.96 36.59 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.687 2.258 . . . . 0.0 112.273 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.8 mmmm -51.54 -16.48 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.965 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -76.3 -32.46 58.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.513 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 61.4 m170 -87.51 -11.25 49.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -61.68 -43.22 99.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.459 ' HG3' ' N ' ' A' ' 30' ' ' PHE . 14.2 ptm180 -61.87 -37.51 84.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.459 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 24.1 m-85 -62.04 -32.02 72.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.45 ' CG2' HG22 ' A' ' 78' ' ' VAL . 87.0 t -75.63 -33.92 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.156 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 95.7 mt -72.67 -44.89 59.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.081 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.88 157.36 9.77 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.507 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -49.47 -60.11 3.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.742 0.306 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -110.5 6.39 21.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 97.67 63.37 0.89 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -132.88 -36.48 1.04 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.998 0.428 . . . . 0.0 110.892 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.8 -66.31 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.5 tp -44.31 -43.49 7.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.994 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -57.71 -56.63 19.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.913 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -58.45 -41.69 85.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.8 mt -60.97 -53.12 61.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.486 ' O ' ' N ' ' A' ' 47' ' ' ALA . 23.8 mt-10 -49.7 -40.87 41.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.8 mt -75.33 -65.0 0.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.961 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -44.4 -34.9 2.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 22.1 p -99.99 -18.46 17.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.173 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . 57.96 34.85 24.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.038 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 77.9 p -111.12 172.73 6.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -110.31 83.67 1.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.819 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 43.3 mt -72.21 140.39 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.113 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -136.34 115.91 12.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 50.5 mt -103.56 134.51 19.71 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.64 0.733 . . . . 0.0 111.163 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 154.31 68.22 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.697 2.265 . . . . 0.0 112.41 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.6 mtp85 -64.01 158.73 60.95 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.607 0.718 . . . . 0.0 110.831 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -16.86 37.79 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.732 2.288 . . . . 0.0 112.313 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -95.98 -24.32 16.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.419 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 4.3 t70 -71.74 140.9 84.25 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.555 0.693 . . . . 0.0 110.874 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.419 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.5 Cg_endo -69.8 -1.29 8.26 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.7 2.266 . . . . 0.0 112.34 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.4 m -88.25 121.91 31.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -122.61 24.44 9.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -112.01 120.75 42.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.953 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 50.8 mt -73.71 149.69 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.158 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -115.33 139.92 49.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -133.32 122.11 43.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.7 m -120.83 143.97 48.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.166 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 153.71 -143.69 10.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.469 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.3 p -94.2 147.95 22.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.916 0.389 . . . . 0.0 111.12 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -40.24 -35.22 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -76.25 -60.22 2.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -49.0 -56.48 10.04 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.445 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 68.1 mt -53.19 -42.16 45.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.77 0.319 . . . . 0.0 111.102 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -55.54 -58.83 6.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -47.81 -51.21 23.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.955 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.26 -41.54 98.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.044 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.5 ttt-85 -67.42 -30.34 70.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -78.03 -31.79 50.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -79.54 -45.45 19.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.45 HG22 ' CG2' ' A' ' 31' ' ' VAL . 9.5 p -63.18 -34.63 67.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.144 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.1 mt -76.15 -43.61 42.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.2 mt -58.89 -43.83 91.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 19.1 mt -69.97 -43.53 79.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.1 m -64.89 -38.65 91.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.15 -54.51 36.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -42.25 -48.33 4.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.49 ' CB ' ' NE2' ' A' ' 27' ' ' HIS . 84.0 mm-40 -50.76 -53.36 32.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.928 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -41.66 -50.94 4.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 88' ' ' ARG . 1.3 tmtp? -54.36 -53.04 59.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.981 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 89' ' ' SER . 76.7 mtp180 -37.21 129.24 0.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.786 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 88' ' ' ARG . 13.8 t -36.06 131.62 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 167.15 84.12 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.497 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -0.43 6.86 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.673 2.249 . . . . 0.0 112.398 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.2 m -40.36 158.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.2 m -64.26 143.25 58.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.898 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.432 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.4 m -147.89 135.6 20.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.897 0.38 . . . . 0.0 110.826 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.9 p -162.16 163.52 28.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.813 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.8 123.07 1.52 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.429 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 p -102.11 -35.76 8.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.847 0.356 . . . . 0.0 110.793 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.7 p 46.1 45.17 12.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.839 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.15 73.49 0.28 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.484 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -160.25 147.33 16.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.683 0.278 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.447 ' O ' ' C ' ' A' ' 10' ' ' VAL . 74.4 mt -38.26 129.74 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 9' ' ' ILE . 7.9 p -34.15 139.74 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -153.42 170.22 21.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.052 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.0 mtt180 -144.63 154.54 42.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.869 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.56 170.84 9.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -111.25 -35.26 5.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.974 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.6 p -51.57 174.46 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -80.3 149.43 30.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.33 154.44 17.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.126 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.3 p -147.36 121.33 9.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -116.68 175.73 5.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 p -139.04 153.01 48.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.47 ' CG1' ' HB ' ' A' ' 62' ' ' ILE . 3.9 p -126.41 110.89 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.45 112.45 6.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.091 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.416 HD12 ' CD1' ' A' ' 62' ' ' ILE . 4.3 pt -146.63 156.43 48.69 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.613 0.72 . . . . 0.0 111.13 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 140.17 41.86 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.72 2.28 . . . . 0.0 112.29 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.4 mttp -53.62 -15.6 1.24 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.883 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -76.13 -29.99 58.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.491 ' NE2' ' CB ' ' A' ' 85' ' ' GLN . 65.7 m170 -87.09 -15.36 38.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.979 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -57.13 -40.88 78.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -63.5 -36.91 85.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -62.98 -18.06 62.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.0 t -92.92 -17.19 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.13 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 26.0 mt -95.24 -32.23 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.432 ' CA ' ' HB2' ' A' ' 38' ' ' LYS . . . 104.8 168.69 24.35 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.489 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm -71.75 -33.99 69.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.833 0.349 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -110.75 -10.39 14.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.79 43.76 2.4 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.461 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -119.94 -16.48 8.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.943 0.401 . . . . 0.0 110.943 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.432 ' HB2' ' CA ' ' A' ' 33' ' ' GLY . 2.8 tmtm? -64.47 -43.86 92.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.8 tp -71.41 -46.8 59.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.474 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 7.5 pt20 -60.56 -46.67 89.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.474 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 6.3 t70 -61.96 -38.86 90.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.9 mt -64.95 -56.1 15.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -52.24 -18.15 1.42 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.4 mt -93.27 -58.03 2.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -49.73 -43.18 47.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 35.5 p -93.47 -19.78 20.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.194 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 62.84 40.08 10.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.094 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 62.1 p -113.38 177.56 4.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.161 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.98 96.05 5.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.828 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 53.7 mt -87.37 128.48 39.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -122.23 104.16 9.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.952 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 38.4 mt -91.51 127.67 49.71 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.582 0.706 . . . . 0.0 111.181 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.497 ' CG ' ' O ' ' A' ' 59' ' ' SER . 54.0 Cg_endo -69.75 152.71 69.41 Favored 'Trans proline' 0 C--O 1.231 0.128 0 C-N-CA 122.653 2.235 . . . . 0.0 112.369 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -61.16 156.07 51.91 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.699 0.761 . . . . 0.0 110.854 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -4.37 13.88 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.733 2.288 . . . . 0.0 112.318 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.33 -7.08 14.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.814 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.422 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.5 t70 -87.01 140.87 32.86 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.633 0.73 . . . . 0.0 110.81 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.422 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.5 Cg_endo -69.76 2.81 3.2 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.708 2.272 . . . . 0.0 112.354 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.497 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 42.1 m -96.67 109.22 21.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 -107.52 12.28 27.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -102.01 121.42 42.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.47 ' HB ' ' CG1' ' A' ' 21' ' ' VAL . 49.6 mt -74.53 152.13 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.078 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.414 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 59.9 tttt -114.06 130.72 56.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.1 pt -125.68 120.12 56.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.3 m -124.34 146.29 48.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.158 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 153.85 -146.57 14.96 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.546 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 69' ' ' GLU . 76.4 p -82.4 139.93 33.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.829 0.347 . . . . 0.0 111.196 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 67' ' ' THR . 5.0 tmmm? -37.09 -30.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.858 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 67' ' ' THR . 23.0 mt-10 -85.49 -45.89 11.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 67' ' ' THR . . . -56.08 -52.96 45.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.448 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 65.9 mt -60.07 -42.8 91.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.766 0.317 . . . . 0.0 111.135 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -56.29 -48.92 75.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -57.4 -53.32 59.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.65 -36.98 80.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.06 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -66.74 -39.81 88.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 56.1 t60 -68.55 -36.76 79.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -73.69 -50.66 19.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.2 p -61.06 -29.26 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.5 mt -81.18 -38.87 26.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.947 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.8 mt -65.24 -44.95 86.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 45.6 mt -64.11 -58.39 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.0 m -52.89 -39.1 62.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.11 -50.55 72.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.059 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -57.77 -28.63 64.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.491 ' CB ' ' NE2' ' A' ' 27' ' ' HIS . 50.5 mm-40 -64.32 -42.12 96.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -54.54 -14.95 1.45 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 88' ' ' ARG . 2.8 ttpm? -98.97 -70.02 0.74 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 87' ' ' LYS . 4.5 mmp_? 35.4 41.18 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.861 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 43.5 t -105.37 140.01 39.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 68.53 83.63 0.14 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.436 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.66 -32.6 18.66 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.663 2.242 . . . . 0.0 112.379 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 17.4 m -92.84 133.26 36.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.818 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.8 t -101.22 90.05 4.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.488 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 m -126.62 163.39 23.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.825 0.345 . . . . 0.0 110.898 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.8 p -107.69 -53.79 2.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.48 130.21 0.28 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.416 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.8 m -146.9 137.32 23.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.881 0.372 . . . . 0.0 110.86 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -130.75 147.18 52.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.831 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.15 -168.37 18.31 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.464 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.44 166.64 21.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.859 0.361 . . . . 0.0 110.82 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.4 HG23 ' N ' ' A' ' 10' ' ' VAL . 4.2 mp -82.99 142.3 13.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.4 ' N ' HG23 ' A' ' 9' ' ' ILE . 93.5 t -74.78 107.87 5.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.185 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -141.57 121.06 13.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.13 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 48.9 mtm180 -139.22 111.08 7.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 28.1 mt -69.13 139.87 54.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -164.51 152.7 12.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.5 p -48.89 176.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -74.28 157.96 34.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -117.46 159.67 22.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.117 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.4 p -142.63 128.6 19.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.918 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.46 175.13 6.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.087 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.6 p -138.88 154.09 48.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.21 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.46 ' CG1' ' HB ' ' A' ' 62' ' ' ILE . 4.9 p -129.01 106.87 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.148 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.66 115.15 5.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.035 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.458 HD11 ' CD1' ' A' ' 62' ' ' ILE . 5.5 pt -141.5 156.35 66.83 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.634 0.73 . . . . 0.0 111.133 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.499 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 54.6 Cg_endo -69.78 141.46 45.21 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.611 2.208 . . . . 0.0 112.41 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.6 tptt -53.88 -15.1 1.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -78.84 -28.11 44.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.503 ' NE2' ' CB ' ' A' ' 85' ' ' GLN . 67.1 m170 -88.52 -19.29 26.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -56.93 -27.1 60.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -85.45 -22.42 28.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -78.85 -13.05 60.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.5 t -96.48 -29.5 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.148 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 16.5 mt -79.15 -33.27 15.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.166 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 34' ' ' LYS . . . 104.4 129.8 6.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.569 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 33' ' ' GLY . 5.6 tmtt? -36.44 -45.36 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.815 0.34 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -98.65 -21.07 16.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 105.79 45.63 1.28 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.47 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -122.02 -16.39 7.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.932 0.396 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.7 tptp -68.61 -29.85 68.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.9 tp -79.63 -48.0 14.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.936 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -63.34 -35.44 80.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -74.32 -31.57 62.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.9 mt -76.26 -52.03 10.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -51.82 -27.14 11.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 20.5 mt -84.19 -65.77 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -43.6 -33.6 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.1 p -100.12 -18.18 17.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.194 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 58.86 37.17 24.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.025 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 63.4 p -112.64 179.1 4.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.179 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -115.05 91.26 3.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.912 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 49.6 mt -80.47 126.92 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.7 tp60 -122.83 112.06 17.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.7 mt -101.8 134.35 20.21 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.628 0.728 . . . . 0.0 111.102 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.455 ' CG ' ' O ' ' A' ' 59' ' ' SER . 53.8 Cg_endo -69.79 145.52 57.25 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.651 2.234 . . . . 0.0 112.392 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -49.11 158.84 0.65 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.677 0.751 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -14.61 36.28 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.679 2.253 . . . . 0.0 112.355 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -100.09 -23.32 14.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.416 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 5.5 t70 -69.98 139.88 88.25 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.584 0.707 . . . . 0.0 110.905 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.416 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 54.1 Cg_endo -69.82 -0.47 7.02 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.697 2.264 . . . . 0.0 112.314 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.455 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 47.6 m -81.14 120.46 24.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.832 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -120.73 19.34 11.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -110.52 120.5 42.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.46 ' HB ' ' CG1' ' A' ' 21' ' ' VAL . 43.2 mt -75.05 148.87 7.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -112.71 132.18 55.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.1 pt -127.43 116.01 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.173 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.8 m -121.41 140.18 52.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 158.98 -144.19 10.03 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.434 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 68.2 p -83.07 165.73 19.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.895 0.379 . . . . 0.0 111.111 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -63.74 -25.99 68.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -90.54 -39.44 12.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.73 -53.64 36.74 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.527 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 76.6 mt -56.64 -40.98 72.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 0.0 111.156 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -57.99 -49.48 76.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.8 mttp -54.19 -52.42 61.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.34 -38.33 90.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.4 ttt-85 -64.79 -33.97 77.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.823 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.493 ' CD2' HD11 ' A' ' 80' ' ' LEU . 56.5 t60 -73.44 -39.3 65.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.839 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -71.24 -51.21 25.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.849 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.2 p -56.07 -39.61 59.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.136 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.1 mt -72.88 -42.96 63.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.946 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.493 HD11 ' CD2' ' A' ' 76' ' ' HIS . 14.3 mt -58.09 -46.15 85.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 36.3 mt -58.47 -56.2 17.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 94.0 p -53.99 -46.1 71.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.813 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.95 -49.28 73.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.065 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -55.49 -32.95 63.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.892 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.503 ' CB ' ' NE2' ' A' ' 27' ' ' HIS . 72.6 mm-40 -66.95 -41.27 87.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -48.81 -54.58 14.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -55.8 -19.13 10.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -91.29 46.36 1.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 66.8 p -98.85 -39.3 8.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -106.84 -158.4 21.41 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.532 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.85 164.14 35.74 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.652 2.235 . . . . 0.0 112.318 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 91.4 p -97.95 167.94 10.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 71.8 m -108.65 128.59 54.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.488 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -117.7 157.56 26.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.916 0.389 . . . . 0.0 110.834 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -152.32 107.96 3.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.867 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.4 -165.44 12.45 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.559 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.8 p -65.42 83.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.908 0.385 . . . . 0.0 110.847 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.4 p -57.05 168.0 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.98 124.35 8.01 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.519 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -154.71 133.28 12.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.799 0.333 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.6 mt -104.51 132.38 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 95.1 t -132.39 117.22 31.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.082 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -143.64 146.25 33.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.038 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -116.6 137.46 52.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.812 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.3 mt -146.78 176.46 9.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -107.69 75.82 1.03 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.9 p -146.4 168.41 21.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -156.18 154.11 30.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -121.82 167.22 13.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.2 p -146.67 125.43 12.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.816 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.61 172.81 7.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.074 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -139.06 154.09 48.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.468 ' CG1' ' HB ' ' A' ' 62' ' ' ILE . 3.3 p -125.71 109.86 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.087 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.69 113.14 6.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.8 pt -146.61 155.26 48.97 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.584 0.707 . . . . 0.0 111.189 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.484 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 54.2 Cg_endo -69.76 142.57 48.28 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.663 2.242 . . . . 0.0 112.446 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.4 mtmm -56.46 -12.98 1.95 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -79.56 -25.11 41.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.484 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 65.4 m170 -89.64 -19.25 25.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -55.9 -36.86 68.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.806 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -61.71 -34.95 76.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -72.82 -10.13 59.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.6 t -102.84 -27.61 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.078 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.5 mt -82.93 -36.4 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.402 ' CA ' ' HB2' ' A' ' 38' ' ' LYS . . . 107.85 168.88 21.61 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.522 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.2 tppt? -41.52 -64.02 0.62 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.759 0.314 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -108.53 -29.77 8.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.966 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 149.16 46.41 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.48 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -111.38 -46.36 3.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.883 0.373 . . . . 0.0 110.865 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.402 ' HB2' ' CA ' ' A' ' 33' ' ' GLY . 1.7 tmtp? -41.19 -65.51 0.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.7 tp -48.3 -45.16 34.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.942 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -53.75 -52.25 60.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -57.53 -48.04 80.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.4 mt -53.61 -54.17 41.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -48.69 -36.94 17.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 47' ' ' ALA . 11.9 mt -79.46 -66.99 0.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -40.15 -36.25 0.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 22.2 p -101.32 -17.6 16.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.167 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 44' ' ' LEU . . . 59.05 34.5 23.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 74.5 p -111.46 168.26 9.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.154 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.436 ' HD3' ' N ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -102.02 90.02 3.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 73.3 mt -82.45 128.9 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -123.95 111.43 16.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.7 mt -99.82 129.45 28.61 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.564 0.697 . . . . 0.0 111.189 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 144.87 55.36 Favored 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 122.743 2.295 . . . . 0.0 112.387 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.9 mtp180 -52.81 160.36 1.48 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.601 0.715 . . . . 0.0 110.839 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -22.15 32.24 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.593 2.195 . . . . 0.0 112.35 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.2 p30 -90.47 -30.48 17.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.802 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.427 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.5 t70 -62.37 141.15 96.45 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.628 0.728 . . . . 0.0 110.854 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.8 Cg_endo -69.75 2.99 3.03 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.629 2.22 . . . . 0.0 112.368 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.5 m -91.45 130.68 37.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 -127.78 3.83 6.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -96.3 122.61 39.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.468 ' HB ' ' CG1' ' A' ' 21' ' ' VAL . 55.4 mt -78.16 148.46 6.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.3 tttp -111.64 134.42 53.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.465 ' CD1' HG23 ' A' ' 71' ' ' ILE . 1.1 pt -128.81 116.17 39.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.7 m -117.46 143.42 46.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 153.98 -152.59 24.17 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.608 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 80.1 p -78.07 144.24 36.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.769 0.319 . . . . 0.0 111.162 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -43.79 -23.49 0.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.927 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -89.96 -45.67 9.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -60.31 -52.03 55.17 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.506 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.465 HG23 ' CD1' ' A' ' 64' ' ' ILE . 83.9 mt -56.41 -48.86 79.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.75 0.31 . . . . 0.0 111.116 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -51.25 -52.08 48.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -48.04 -58.17 4.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.91 -34.27 75.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.086 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.42 ' O ' ' CD1' ' A' ' 79' ' ' LEU . 23.0 ttp180 -67.65 -33.61 75.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 52.2 t60 -76.24 -36.74 58.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.935 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -72.87 -49.71 28.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.5 p -57.21 -34.2 45.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.42 ' CD1' ' O ' ' A' ' 75' ' ' ARG . 7.4 mt -74.25 -47.16 36.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.8 mt -56.04 -48.73 75.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 17.3 mt -58.31 -56.93 13.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 58.0 p -55.25 -48.25 74.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.86 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -48.36 -51.96 23.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.09 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.423 ' CD ' ' HD3' ' A' ' 87' ' ' LYS . 10.2 mm-40 -58.36 -39.13 78.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.951 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.425 ' CB ' ' NE2' ' A' ' 27' ' ' HIS . 79.1 mm-40 -59.29 -28.95 67.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -90.92 -29.84 17.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.827 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.423 ' HD3' ' CD ' ' A' ' 84' ' ' GLU . 10.6 ptmt -74.95 -11.33 60.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.53 -23.0 12.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.2 m -83.34 91.87 7.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.903 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -174.81 -94.59 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.484 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -12.64 33.24 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.747 2.298 . . . . 0.0 112.304 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.3 t -45.45 165.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.806 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 30.5 p -93.83 93.73 8.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.833 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.517 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 m -157.27 139.32 14.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.939 0.4 . . . . 0.0 110.849 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -163.93 107.54 0.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.64 57.63 0.21 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.5 t -99.75 82.11 2.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.903 0.382 . . . . 0.0 110.908 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.1 p -148.31 151.97 36.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.819 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.63 46.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.474 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -81.16 132.66 35.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.812 0.339 . . . . 0.0 110.804 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.5 mm -85.42 136.07 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.4 m -65.5 148.36 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.175 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -146.07 146.66 31.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.067 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -130.83 117.27 19.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -107.76 142.96 36.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -111.68 -53.98 2.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 21.6 p -70.84 173.79 6.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -111.68 138.56 48.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -112.38 169.51 8.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.2 p -144.75 128.8 17.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.794 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.98 171.03 8.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.123 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -139.1 159.14 42.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.142 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.465 ' CG1' ' HB ' ' A' ' 62' ' ' ILE . 4.1 p -132.32 120.6 43.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.146 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.93 107.17 10.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.077 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.1 pt -139.29 155.47 72.28 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.672 0.749 . . . . 0.0 111.046 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.519 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.8 Cg_endo -69.8 143.78 51.75 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.717 2.278 . . . . 0.0 112.359 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.413 ' HD2' ' CE1' ' A' ' 28' ' ' HIS . 1.2 mmmp? -58.18 -11.56 2.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -83.26 -22.38 33.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.519 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 62.7 m170 -89.94 -28.1 19.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.814 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.413 ' CE1' ' HD2' ' A' ' 25' ' ' LYS . 31.7 m170 -45.78 -46.75 15.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -52.33 -43.87 64.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -61.45 -13.36 19.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.4 t -102.35 -23.32 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 61.2 mt -85.2 -36.79 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.18 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.449 ' CA ' ' HB2' ' A' ' 38' ' ' LYS . . . 111.18 175.82 20.27 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.501 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.7 ttmm -57.31 -58.39 8.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.878 0.371 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -106.69 -28.37 10.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 142.68 54.37 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.491 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.511 ' O ' ' N ' ' A' ' 40' ' ' GLN . 3.0 mt-10 -122.01 -51.07 2.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.882 0.372 . . . . 0.0 110.886 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.449 ' HB2' ' CA ' ' A' ' 33' ' ' GLY . 2.7 tmtp? -35.33 -39.26 0.12 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.4 tp -75.79 -41.92 51.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.511 ' N ' ' O ' ' A' ' 37' ' ' GLU . 5.5 pt20 -63.88 -36.89 85.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -72.79 -40.59 65.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.817 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.4 mt -64.08 -49.4 72.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -54.33 -29.2 47.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.0 mt -84.12 -64.88 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.9 ttpp -45.61 -42.01 10.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.1 p -91.81 -14.36 29.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 54.37 35.83 23.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.113 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 66.0 p -111.89 170.94 7.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.112 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.05 87.76 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 73.4 mt -78.9 130.34 36.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.167 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -130.64 107.63 9.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 37.9 mt -95.1 134.49 24.58 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.62 0.724 . . . . 0.0 111.151 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 143.88 51.92 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.704 2.269 . . . . 0.0 112.27 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 47.6 mtt180 -53.06 159.5 1.91 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.695 0.759 . . . . 0.0 110.771 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 -14.89 36.74 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.692 2.261 . . . . 0.0 112.389 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -97.47 -27.26 14.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.425 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.6 t70 -67.1 141.05 96.15 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.574 0.702 . . . . 0.0 110.925 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.425 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 54.1 Cg_endo -69.77 -4.06 13.27 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.657 2.238 . . . . 0.0 112.358 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.7 m -85.96 125.72 33.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 -121.82 11.83 10.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -100.43 123.75 45.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.465 ' HB ' ' CG1' ' A' ' 21' ' ' VAL . 49.6 mt -76.73 148.85 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.064 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -109.61 136.62 48.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.465 ' CD1' HG23 ' A' ' 71' ' ' ILE . 1.1 pt -133.96 120.94 37.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.147 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.2 m -127.57 142.64 51.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.139 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 155.67 -146.54 14.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.422 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 70' ' ' GLY . 75.8 p -81.54 143.75 31.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.893 0.377 . . . . 0.0 111.128 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 tmmm? -38.46 -35.58 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -80.06 -43.63 21.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 67' ' ' THR . . . -55.85 -60.83 8.2 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.439 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.465 HG23 ' CD1' ' A' ' 64' ' ' ILE . 76.4 mt -52.69 -46.48 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.825 0.345 . . . . 0.0 111.194 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -52.61 -54.99 25.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.9 mttp -47.64 -59.07 3.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.57 -35.6 74.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.132 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.8 ttt180 -68.75 -32.51 72.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.833 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.484 ' CD2' HD12 ' A' ' 80' ' ' LEU . 56.8 t60 -75.58 -33.55 60.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -76.36 -44.84 34.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.3 p -64.07 -40.72 90.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.14 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.5 mt -71.11 -41.67 70.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.484 HD12 ' CD2' ' A' ' 76' ' ' HIS . 15.2 mt -59.16 -48.38 81.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 21.6 mt -59.85 -59.53 3.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.118 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.6 t -48.34 -56.02 9.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -45.62 -54.73 7.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.107 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -49.31 -43.88 43.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.439 ' CB ' ' NE2' ' A' ' 27' ' ' HIS . 58.5 mm-40 -58.27 -45.8 87.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -50.21 -36.27 30.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.3 tptm -95.35 30.67 2.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.412 ' HG3' ' N ' ' A' ' 89' ' ' SER . 1.6 ptp85 -70.41 -41.04 73.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.412 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 33.9 t -115.83 88.37 2.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -54.83 163.93 3.69 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.437 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -2.98 11.07 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.74 2.294 . . . . 0.0 112.381 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.8 m -39.1 -59.45 1.0 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 63.2 m -89.56 93.15 9.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.25 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.535 -179.892 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.5 p -174.39 118.65 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.331 . . . . 0.0 110.898 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.9 p -162.97 166.2 24.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.26 89.88 1.66 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.562 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.4 m -145.6 107.33 4.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.798 0.333 . . . . 0.0 110.855 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -113.28 155.27 25.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.403 ' C ' ' OD1' ' A' ' 8' ' ' ASP . . . 142.8 163.73 9.85 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.533 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' A' ' 7' ' ' GLY . 2.9 m-20 -155.3 132.81 11.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 0.0 110.86 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.1 mt -77.6 130.9 35.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.096 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.4 m -63.75 150.75 9.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.123 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -103.96 44.44 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.065 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -143.0 160.73 39.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.3 mp -83.54 105.23 14.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -101.65 136.57 41.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.6 p -48.7 177.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.185 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -101.86 128.71 48.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.46 169.41 10.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.3 p -148.26 120.18 8.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.858 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -115.87 175.01 5.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.062 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 p -139.09 153.84 48.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.149 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.0 p -128.31 109.83 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.59 113.76 6.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.134 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.441 HG13 ' CD2' ' A' ' 28' ' ' HIS . 2.8 pt -141.19 155.03 68.32 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.703 0.763 . . . . 0.0 111.066 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.512 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.8 Cg_endo -69.7 147.84 64.13 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.68 2.253 . . . . 0.0 112.396 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.486 ' NZ ' ' ND1' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -61.54 -9.15 5.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -90.85 -12.79 35.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.512 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 54.4 m170 -103.49 -18.79 14.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.828 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.486 ' ND1' ' NZ ' ' A' ' 25' ' ' LYS . 10.2 m170 -54.28 -46.22 72.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -57.44 -43.37 83.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -56.26 -13.6 2.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 40.2 t -97.73 -33.31 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 56.9 mt -74.46 -39.28 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 114.95 168.6 15.77 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.466 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.9 mmmt -59.12 -49.0 79.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.732 0.301 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -111.51 -20.2 12.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 124.06 47.87 0.23 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -121.37 -22.79 5.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.876 0.369 . . . . 0.0 110.835 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.9 tptt -63.44 -31.67 72.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.1 tp -81.84 -44.23 17.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -63.8 -36.11 82.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -73.91 -36.65 64.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.2 mt -68.48 -53.08 25.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -51.23 -32.4 23.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.6 mt -80.33 -62.66 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.969 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -46.69 -31.93 3.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.6 p -102.46 -20.75 14.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.232 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 61.52 38.3 15.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 71.0 p -114.68 175.61 5.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.2 tppt? -110.99 87.91 2.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.424 HG21 ' N ' ' A' ' 51' ' ' GLN . 71.4 mt -77.43 136.19 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.132 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.424 ' N ' HG21 ' A' ' 50' ' ' ILE . 3.4 tp-100 -129.43 114.57 16.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.906 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.6 mt -105.32 123.69 38.8 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.598 0.714 . . . . 0.0 111.167 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.496 ' CG ' ' O ' ' A' ' 59' ' ' SER . 53.9 Cg_endo -69.7 142.04 47.1 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.706 2.271 . . . . 0.0 112.381 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 64.4 mtm180 -49.87 158.04 0.96 Allowed Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.631 0.729 . . . . 0.0 110.844 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -14.68 36.38 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.695 2.263 . . . . 0.0 112.296 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -94.52 -25.63 16.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.864 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.424 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 4.9 t70 -69.96 140.57 88.72 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.563 0.697 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.9 Cg_endo -69.77 2.3 3.66 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.726 2.284 . . . . 0.0 112.374 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.496 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 10.1 m -94.09 114.42 26.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -114.03 20.46 15.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -110.08 120.91 43.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.422 ' CG2' ' N ' ' A' ' 63' ' ' LYS . 53.3 mt -75.02 152.38 6.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.077 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.422 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 35.5 tttt -114.89 132.1 56.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.1 pt -127.33 116.72 44.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.431 HG23 ' N ' ' A' ' 66' ' ' GLY . 47.7 m -120.66 146.51 46.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.431 ' N ' HG23 ' A' ' 65' ' ' THR . . . 152.72 -147.53 17.28 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.463 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 67.6 p -82.23 150.53 27.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.857 0.361 . . . . 0.0 111.165 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? -46.77 -31.51 3.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -83.79 -45.35 13.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -55.68 -59.79 9.95 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.496 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 73.3 mt -52.02 -45.11 40.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 0.0 111.153 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -53.99 -47.83 71.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -58.15 -49.21 77.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.828 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.02 -36.58 84.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.111 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -70.58 -38.82 74.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 53.9 t60 -67.82 -27.11 66.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -83.33 -46.63 12.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.433 ' CG1' ' N ' ' A' ' 79' ' ' LEU . 2.0 p -65.11 -39.93 87.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.433 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 17.3 mt -69.73 -36.6 76.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.05 -49.51 69.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 24.9 mt -60.49 -57.97 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 85.2 p -50.6 -46.17 57.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.62 -51.51 69.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -48.85 -44.25 39.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -59.62 -45.51 91.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -50.19 -47.92 54.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 41.5 tttt -53.9 -42.19 68.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 18.2 mmm-85 -53.23 -43.33 67.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 90.7 p -79.96 122.71 27.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.94 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 128.13 175.49 14.1 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.517 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.88 160.29 50.21 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.682 2.255 . . . . 0.0 112.339 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.4 t -71.44 -53.1 15.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 86.3 p -78.4 134.51 37.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.848 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 179.976 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 3' ' ' SER . 1.4 t -78.78 121.17 24.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.871 0.367 . . . . 0.0 110.832 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 2' ' ' SER . 24.6 m -38.52 -54.24 1.52 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.94 79.77 1.05 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.538 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.8 m -158.21 138.0 12.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.919 0.39 . . . . 0.0 110.833 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.8 p -80.49 170.79 15.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.929 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.85 66.3 0.25 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.501 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -60.52 123.51 17.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.823 0.344 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.2 mm -108.6 130.29 61.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.5 p -168.67 132.15 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.14 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -156.09 165.73 35.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.059 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -80.26 139.83 36.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.1 mt -96.16 114.7 26.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -111.88 -64.84 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.935 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.7 p -79.8 177.17 9.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.172 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.4 mm100 -131.54 133.1 44.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.967 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.404 ' O ' ' CD1' ' A' ' 71' ' ' ILE . . . -90.61 147.28 23.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.056 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.0 p -139.12 125.62 20.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.792 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.65 -178.85 4.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.106 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 p -139.17 155.64 47.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.415 ' CG1' ' HB ' ' A' ' 62' ' ' ILE . 5.6 p -130.01 94.08 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.093 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.29 112.14 1.03 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.562 HD11 ' CD2' ' A' ' 28' ' ' HIS . 10.9 pt -138.19 155.38 74.28 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.601 0.715 . . . . 0.0 111.123 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.527 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.7 Cg_endo -69.81 150.58 68.11 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.644 2.229 . . . . 0.0 112.39 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -60.86 -9.25 3.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.987 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -90.46 -11.73 39.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.569 ' CD2' ' HG3' ' A' ' 85' ' ' GLN . 62.7 m170 -103.53 -13.43 16.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.779 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.562 ' CD2' HD11 ' A' ' 23' ' ' ILE . 6.2 m-70 -63.74 -37.4 87.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -70.88 -38.37 73.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -61.91 -30.22 70.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.1 t -80.83 -35.87 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.42 ' C ' ' HB3' ' A' ' 38' ' ' LYS . 90.3 mt -72.34 -42.09 65.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.51 148.57 7.9 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.491 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -41.53 -47.39 3.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.789 0.328 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -111.65 -30.84 7.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.41 47.39 0.12 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.492 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -123.89 -19.89 5.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.939 0.399 . . . . 0.0 110.887 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.42 ' HB3' ' C ' ' A' ' 32' ' ' ILE . 17.6 tptm -62.37 -54.39 41.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.4 tp -51.66 -45.4 63.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -52.06 -59.37 4.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -53.7 -45.87 70.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.6 mt -56.61 -53.73 54.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.835 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 47' ' ' ALA . 20.6 mt-10 -49.1 -41.18 34.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.814 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 47' ' ' ALA . 39.2 mt -74.96 -66.53 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.7 ttpp -40.1 -42.91 1.52 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.1 p -92.51 -19.68 21.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 44' ' ' LEU . . . 60.19 34.94 21.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.043 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 76.5 p -111.71 176.45 5.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.117 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.9 mmmt -112.54 85.88 2.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 77.2 mt -74.92 129.35 36.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.064 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -125.56 117.41 23.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 59.3 mt -109.17 130.5 22.66 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.665 0.745 . . . . 0.0 111.097 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.464 ' CB ' ' HB3' ' A' ' 59' ' ' SER . 53.7 Cg_endo -69.8 140.83 43.48 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.716 2.277 . . . . 0.0 112.321 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 53' ' ' PRO . 4.8 mpt_? -36.83 155.66 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.634 0.73 . . . . 0.0 110.846 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -14.32 35.72 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.651 2.234 . . . . 0.0 112.319 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.28 -26.43 15.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.431 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 9.5 t70 -66.21 139.81 96.59 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.574 0.702 . . . . 0.0 110.927 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.431 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.7 Cg_endo -69.76 3.25 2.88 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.723 2.282 . . . . 0.0 112.366 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.464 ' HB3' ' CB ' ' A' ' 53' ' ' PRO . 12.2 t -83.02 124.15 30.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -123.2 18.17 9.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -108.63 117.23 33.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.472 ' CD1' HD13 ' A' ' 23' ' ' ILE . 30.0 mt -75.95 149.19 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -111.77 132.9 54.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.929 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.1 pt -127.08 122.76 60.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 38.0 m -128.62 139.2 52.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.19 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 157.0 -152.03 23.38 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.493 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 70' ' ' GLY . 69.7 p -80.57 145.81 31.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.847 0.356 . . . . 0.0 111.171 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -38.78 -37.34 0.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -75.23 -44.24 47.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 67' ' ' THR . . . -59.79 -58.96 11.52 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.4 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.404 ' CD1' ' O ' ' A' ' 17' ' ' ALA . 73.6 mt -55.86 -44.85 79.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 0.0 111.178 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -56.67 -50.09 73.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -55.21 -52.95 61.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.24 -36.9 85.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.091 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -69.6 -34.29 73.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -74.95 -26.87 59.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -85.62 -46.7 10.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.7 -28.91 45.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 15.0 mt -81.86 -38.5 25.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.6 mt -63.55 -43.18 97.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 27.3 mt -66.66 -52.23 47.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 46.4 p -57.41 -46.45 83.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.03 -56.11 25.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.073 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -43.93 -45.26 7.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.569 ' HG3' ' CD2' ' A' ' 27' ' ' HIS . 55.2 mm-40 -49.96 -51.91 37.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -40.09 -40.8 1.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -74.95 -44.89 45.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.964 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 24.2 mmm-85 -42.71 107.05 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 38.8 t -125.32 156.31 38.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -173.18 -85.4 0.06 OUTLIER Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.476 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.418 ' O ' ' N ' ' A' ' 93' ' ' SER . 53.8 Cg_endo -69.8 -15.28 36.85 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.666 2.244 . . . . 0.0 112.313 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 98.0 p -54.66 88.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.787 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 91' ' ' PRO . 9.3 t -75.68 105.33 6.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.46 -179.987 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.8 p -123.74 148.75 46.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 0.0 110.858 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 t 40.88 42.04 1.37 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.898 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.1 66.35 0.24 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.524 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 m -113.19 160.74 17.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.878 0.371 . . . . 0.0 110.873 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.3 p -106.56 -49.32 3.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.63 -156.63 25.85 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.424 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.7 t70 64.34 40.23 6.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 0.0 110.848 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.509 ' N ' ' CD1' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -49.57 144.01 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.091 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 36.0 m -77.97 -12.7 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.15 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -174.98 154.56 1.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.165 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -74.27 123.67 25.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.5 mt -94.47 -57.4 2.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.933 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 54.57 41.21 32.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.9 m -153.55 147.41 25.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -60.2 152.16 25.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.984 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -120.99 167.64 12.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.199 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m -152.33 137.7 17.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.27 177.06 6.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.136 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -139.18 159.14 42.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.198 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.439 ' CG1' ' HB ' ' A' ' 62' ' ' ILE . 5.7 p -134.53 101.37 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.159 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.25 111.44 2.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.466 HD13 ' CD1' ' A' ' 62' ' ' ILE . 9.1 pt -140.28 155.55 70.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.705 0.764 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.513 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 54.5 Cg_endo -69.7 145.88 58.84 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.678 2.252 . . . . 0.0 112.367 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.19 -11.41 2.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.919 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -83.14 -21.69 33.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.525 ' CD2' ' HG3' ' A' ' 85' ' ' GLN . 66.2 m170 -95.3 -19.61 19.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -56.59 -46.18 80.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -58.96 -35.78 73.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -68.0 -29.18 68.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 66.5 t -78.22 -35.41 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.116 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.406 HG12 ' CD1' ' A' ' 52' ' ' ILE . 73.3 mt -72.55 -44.96 60.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 119.81 147.66 8.03 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.463 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.4 tptt -46.97 -55.08 8.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.359 . . . . 0.0 110.857 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -110.27 11.65 23.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.38 54.39 3.0 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.464 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -129.7 -5.19 4.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.902 0.382 . . . . 0.0 110.916 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.7 tptt -85.53 -43.02 13.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.2 tp -67.54 -49.23 64.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -55.88 -39.94 72.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.985 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -70.04 -45.31 67.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.7 mt -58.82 -52.06 67.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 47' ' ' ALA . 22.3 mt-10 -49.86 -38.22 34.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 25.5 mt -76.64 -64.62 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -44.54 -36.22 2.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 19.6 p -99.01 -16.29 18.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.125 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . 56.85 34.48 24.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.055 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 74.8 p -110.06 174.84 5.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.14 86.11 2.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 78.9 mt -78.71 126.17 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.195 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -123.61 120.16 31.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.406 ' CD1' HG12 ' A' ' 32' ' ' ILE . 56.5 mt -111.17 126.78 28.0 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.591 0.71 . . . . 0.0 111.21 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 143.83 51.96 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.692 2.261 . . . . 0.0 112.335 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -43.64 156.72 0.28 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.528 0.68 . . . . 0.0 110.932 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -8.42 23.57 Favored 'Trans proline' 0 N--CA 1.464 -0.22 0 C-N-CA 122.71 2.273 . . . . 0.0 112.402 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -101.49 -22.43 14.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.419 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.7 t70 -70.58 141.03 87.38 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.579 0.704 . . . . 0.0 110.842 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.419 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.5 Cg_endo -69.76 3.04 3.0 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.649 2.233 . . . . 0.0 112.358 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 t -88.43 115.82 26.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -115.84 18.16 15.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -110.85 120.53 42.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.466 ' CD1' HD13 ' A' ' 23' ' ' ILE . 51.0 mt -77.97 147.9 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.096 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.9 tttp -110.8 130.64 55.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.461 ' CD1' HG21 ' A' ' 71' ' ' ILE . 1.1 pt -124.09 123.32 66.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.2 m -127.25 146.63 50.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 150.05 -150.47 22.53 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.465 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.3 p -77.89 146.31 35.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.878 0.371 . . . . 0.0 111.131 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -40.06 -39.89 0.96 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.4 mp0 -76.57 -43.06 40.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -56.29 -58.19 15.5 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.483 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.461 HG21 ' CD1' ' A' ' 64' ' ' ILE . 80.8 mt -55.09 -52.14 47.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.831 0.348 . . . . 0.0 111.143 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.475 ' CA ' ' OE1' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -50.76 -51.51 49.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.1 mttm -51.87 -54.42 29.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.01 -33.39 75.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.147 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.1 ttt180 -71.54 -34.15 69.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.544 ' CD2' HD13 ' A' ' 80' ' ' LEU . 41.8 t60 -74.56 -29.8 61.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -82.66 -45.13 14.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.802 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.4 p -64.1 -27.97 43.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.1 mt -83.52 -42.53 16.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.935 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.544 HD13 ' CD2' ' A' ' 76' ' ' HIS . 12.5 mt -57.6 -40.03 78.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.6 mt -69.46 -48.41 66.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.2 p -61.51 -42.7 99.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.71 -56.34 20.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.156 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -45.84 -46.7 15.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.525 ' HG3' ' CD2' ' A' ' 27' ' ' HIS . 60.4 mm-40 -49.61 -48.3 49.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -55.74 -43.78 76.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.1 tttm -94.74 30.23 2.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.941 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 89' ' ' SER . 11.0 ptt-85 -54.17 -34.78 61.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.859 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.407 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 3.9 m -131.71 -66.24 0.72 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 101.91 147.91 20.44 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -2.2 9.78 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.597 2.198 . . . . 0.0 112.373 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 20.1 m -129.44 112.0 13.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.839 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 53.3 p -83.12 134.06 35.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.846 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.54 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.7 m -47.7 98.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.925 0.393 . . . . 0.0 110.818 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.5 p -133.49 144.69 49.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.08 47.13 0.52 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.419 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.6 t -166.66 165.91 16.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.864 0.364 . . . . 0.0 110.845 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.3 p -57.23 161.12 3.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.02 128.88 6.41 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -123.74 154.95 38.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.761 0.315 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.421 ' N ' ' CD1' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -53.4 166.61 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.401 HG22 ' C ' ' A' ' 9' ' ' ILE . 87.6 t -140.05 106.37 2.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.156 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.52 155.97 13.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.075 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -93.06 99.25 11.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -48.25 164.8 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -126.11 -46.4 1.66 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.1 m -114.95 148.64 38.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -56.69 155.98 6.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -110.98 160.48 16.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.122 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.1 p -143.65 125.85 15.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -118.35 176.17 5.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.113 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -139.4 154.69 47.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.2 p -128.1 107.51 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.126 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.53 111.92 3.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.404 ' O ' ' O ' ' A' ' 60' ' ' ASN . 2.8 pt -141.08 156.22 68.22 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 121.591 0.71 . . . . 0.0 111.203 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.517 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 54.0 Cg_endo -69.72 150.92 69.07 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.72 2.28 . . . . 0.0 112.329 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.0 mtmm -67.45 -2.18 5.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -95.21 -21.87 18.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.517 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 58.4 m170 -89.1 -29.37 19.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.809 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -40.65 -47.23 2.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -52.52 -47.05 66.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.422 ' CE1' ' NE2' ' A' ' 85' ' ' GLN . 47.2 m-85 -57.6 -25.09 59.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 41.7 t -83.48 -37.64 13.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 53.0 mt -71.83 -38.88 66.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.216 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.53 177.04 17.46 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.464 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -67.42 -60.56 2.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.792 0.33 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -109.7 11.23 24.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 93.81 53.22 1.82 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -126.37 -29.85 2.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.901 0.381 . . . . 0.0 110.914 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -55.83 -66.71 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.9 tp -48.79 -44.63 39.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -52.27 -56.37 15.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.944 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -59.41 -39.8 84.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.6 mt -60.18 -54.58 44.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.949 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 47' ' ' ALA . 21.4 mt-10 -50.8 -40.18 54.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 28.4 mt -74.23 -65.74 0.81 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -43.63 -40.01 3.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 38.8 p -94.5 -18.99 20.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.207 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . 57.84 33.05 22.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.094 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 81.4 p -109.1 176.16 5.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.081 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.3 mmmt -110.16 89.17 2.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 60.4 mt -84.34 122.11 37.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.134 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -117.54 121.75 41.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 47.3 mt -111.8 123.89 33.63 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.582 0.706 . . . . 0.0 111.161 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 145.7 58.36 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.646 2.231 . . . . 0.0 112.416 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.1 mtp85 -50.28 161.45 0.6 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.646 0.736 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -22.71 31.57 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.671 2.248 . . . . 0.0 112.304 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -89.34 -27.27 20.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.924 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.432 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.4 t70 -62.75 141.43 97.17 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.625 0.726 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.432 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 52.8 Cg_endo -69.81 3.34 2.85 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.656 2.237 . . . . 0.0 112.274 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.8 m -95.76 127.99 42.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.86 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 23' ' ' ILE . 16.2 p-10 -126.41 9.75 7.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.879 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -103.45 122.65 45.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 45.5 mt -80.2 148.44 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.18 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 46.0 tttt -110.57 133.43 53.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.1 pt -127.73 116.7 44.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 39.6 m -123.65 144.42 49.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 156.25 -145.05 11.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 70' ' ' GLY . 75.9 p -82.45 141.62 32.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.837 0.351 . . . . 0.0 111.161 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.3 tttm -38.06 -34.15 0.11 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -84.5 -41.69 16.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 67' ' ' THR . . . -57.69 -54.37 37.82 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.525 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 72.8 mt -57.44 -52.11 61.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.349 . . . . 0.0 111.151 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -47.96 -52.26 20.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt -50.66 -56.28 12.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.1 -36.68 77.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.09 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.7 ttt180 -67.44 -34.2 76.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 57.6 t60 -74.21 -30.74 62.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -79.13 -45.59 19.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.7 p -63.22 -38.13 81.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.5 mt -71.76 -41.72 68.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.7 mt -58.14 -51.63 68.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 19.8 mt -61.67 -56.27 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 58.9 p -51.34 -46.14 62.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.821 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.12 -54.3 48.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -48.95 -45.4 41.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.422 ' NE2' ' CE1' ' A' ' 30' ' ' PHE . 56.1 mm-40 -61.98 -35.96 80.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -72.65 -22.84 60.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.8 tptp -95.92 29.42 2.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 39.9 mtm180 -85.62 164.55 17.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.91 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.4 t 44.58 40.32 3.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -125.17 -160.64 10.77 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.46 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 132.44 23.25 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.64 2.227 . . . . 0.0 112.389 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.7 p -81.4 43.34 0.73 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.9 t -70.9 142.39 51.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.829 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.226 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.492 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.401 0 N-CA-C 112.576 -0.21 . . . . 0.0 112.576 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 t -133.44 153.12 51.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 110.801 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.6 t -154.47 163.11 40.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.9 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.29 -159.57 8.04 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.488 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.3 m -105.56 136.52 44.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.869 0.366 . . . . 0.0 110.85 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 m -101.22 135.37 42.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.55 67.05 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.537 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -106.18 92.99 4.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.816 0.341 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.2 pt -89.52 153.64 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.3 p -133.94 119.35 31.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.111 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -160.8 122.79 3.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.0 ttt180 -103.75 162.69 12.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.812 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -131.66 151.03 51.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -85.3 -60.18 2.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.957 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 16' ' ' GLN . 13.1 t -151.24 162.98 39.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.119 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 15' ' ' THR . 45.4 mt-30 -36.29 152.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -111.11 160.96 16.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.069 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 p -144.94 117.75 8.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.08 169.51 8.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.142 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 p -139.1 153.02 47.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.154 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.4 p -130.05 113.77 27.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.32 115.01 11.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.8 pt -142.47 157.01 63.44 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.617 0.722 . . . . 0.0 111.155 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.517 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.9 Cg_endo -69.66 144.07 53.41 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.731 2.287 . . . . 0.0 112.352 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.1 tptp -54.13 -14.89 1.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.855 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -78.8 -28.09 44.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.517 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 64.9 m170 -89.58 -13.56 36.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.408 ' ND1' HG21 ' A' ' 52' ' ' ILE . 5.8 m-70 -66.27 -36.05 81.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -73.45 -26.04 60.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -75.39 -21.23 58.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.8 t -85.54 -35.86 10.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.17 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.1 mt -69.42 -37.76 75.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 113.43 160.05 13.81 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.44 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -58.15 -56.12 26.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.827 0.346 . . . . 0.0 110.957 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -97.24 -8.51 29.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 106.07 46.95 1.12 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.511 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 40' ' ' GLN . 1.9 mm-40 -120.71 -44.18 2.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.852 0.358 . . . . 0.0 110.903 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 37' ' ' GLU . 18.1 tptp -35.96 -33.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 37' ' ' GLU . 9.1 tp -85.28 -40.77 16.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.967 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 37' ' ' GLU . 3.9 pt20 -63.24 -32.97 74.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -79.75 -32.06 41.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.8 mt -71.02 -56.23 6.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -49.35 -28.15 4.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.4 mt -86.36 -64.81 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.41 ' C ' ' HD2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -45.52 -42.87 11.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.807 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 19.7 p -90.16 -21.64 22.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 63.01 39.63 9.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.164 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 71.5 p -117.34 177.23 4.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -115.07 87.73 2.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 32.4 mt -78.99 126.97 39.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -122.16 113.14 19.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.479 ' CG2' ' HD2' ' A' ' 53' ' ' PRO . 59.5 mt -97.45 138.29 21.13 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.62 0.724 . . . . 0.0 111.152 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.496 ' CG ' ' O ' ' A' ' 59' ' ' SER . 53.9 Cg_endo -69.76 152.6 69.35 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.643 2.229 . . . . 0.0 112.36 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -63.52 155.62 74.72 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.593 0.711 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.62 -6.91 19.66 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.753 2.302 . . . . 0.0 112.401 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.65 -12.19 14.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.411 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 2.2 t70 -86.13 140.4 34.69 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.606 0.717 . . . . 0.0 110.855 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.411 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 52.7 Cg_endo -69.83 3.11 3.0 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.728 2.285 . . . . 0.0 112.247 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.496 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 6.0 m -91.84 119.37 31.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -120.79 27.61 8.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -112.92 119.56 38.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.947 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 52.3 mt -74.24 147.69 8.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.03 128.31 56.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.787 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.473 ' CD1' HG21 ' A' ' 71' ' ' ILE . 1.0 OUTLIER -119.07 115.32 47.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.119 179.835 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.7 m -114.09 142.0 46.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.179 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 153.92 -154.33 25.44 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.526 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 55.5 p -80.08 145.16 32.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.864 0.364 . . . . 0.0 111.154 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.0 tptt -40.53 -36.98 0.64 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -76.91 -45.68 27.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -59.6 -59.61 10.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.562 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.473 HG21 ' CD1' ' A' ' 64' ' ' ILE . 71.9 mt -50.58 -40.54 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.808 0.337 . . . . 0.0 111.121 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -58.08 -51.06 71.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -51.59 -51.02 58.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.55 -36.78 83.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.052 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -65.24 -32.21 73.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -76.36 -45.25 32.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -63.85 -45.09 91.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.3 p -65.68 -36.32 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.171 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.1 mt -74.33 -36.06 63.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.93 -47.83 73.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 50.3 mt -63.17 -57.15 13.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.183 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.5 m -58.33 -34.69 70.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.807 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.76 -46.3 82.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.064 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -54.11 -43.17 70.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.408 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 36.6 mm-40 -57.36 -49.08 77.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -49.36 -40.52 35.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.846 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.8 ttmm -91.38 30.65 1.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.86 -23.66 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.3 t -140.22 134.65 31.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -167.16 168.95 40.71 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.458 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 157.18 61.18 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.673 2.249 . . . . 0.0 112.373 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.6 t -87.22 166.72 14.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 40.8 t -107.06 130.65 54.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.95 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.502 -179.956 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m -166.34 163.47 17.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 0.0 110.859 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.0 p -149.63 165.09 33.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.86 -105.75 0.22 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.455 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m 61.8 48.95 5.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.752 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.8 t -164.37 130.48 2.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.818 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.68 177.53 36.59 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.456 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -118.81 154.74 32.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.704 0.288 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.6 mt -68.11 130.61 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 92.7 t -126.93 121.05 57.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.64 89.99 0.74 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.088 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -115.12 155.55 26.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.6 mt -79.55 110.16 14.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -133.43 150.56 51.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.9 p -73.37 -177.19 2.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.165 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -48.99 153.46 0.88 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -117.66 155.32 30.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.076 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 p -146.72 121.66 10.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.839 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -118.32 172.9 7.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.078 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.1 p -139.06 155.57 47.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.462 ' CG1' ' HB ' ' A' ' 62' ' ' ILE . 2.6 p -131.29 105.25 10.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.091 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.79 116.76 7.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.462 HD11 ' CD1' ' A' ' 62' ' ' ILE . 5.9 pt -144.93 156.01 55.43 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.643 0.735 . . . . 0.0 111.065 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.529 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 54.1 Cg_endo -69.76 150.11 67.78 Favored 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.74 2.294 . . . . 0.0 112.379 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -9.96 7.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.915 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.441 ' CG ' ' HB2' ' A' ' 24' ' ' PRO . 0.9 OUTLIER -88.97 -12.48 41.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.56 ' CE1' ' HB2' ' A' ' 85' ' ' GLN . 62.8 m170 -104.42 -13.15 16.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -62.45 -46.94 86.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.439 ' HG3' ' N ' ' A' ' 30' ' ' PHE . 7.7 ptp180 -58.39 -39.07 78.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.439 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 15.0 m-85 -60.18 -28.17 67.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.4 t -85.3 -27.74 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.062 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.445 HG12 ' CD1' ' A' ' 52' ' ' ILE . 97.6 mt -79.49 -47.29 22.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 34' ' ' LYS . . . 122.96 140.25 5.66 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 33' ' ' GLY . 12.2 ptmt -35.38 -47.33 0.42 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.787 0.327 . . . . 0.0 110.895 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -111.23 -31.45 7.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.44 42.14 0.2 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.547 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -111.59 -37.94 5.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.947 0.403 . . . . 0.0 110.885 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -47.77 -66.87 0.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 tp -40.89 -46.21 2.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.879 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -54.91 -59.57 4.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -51.5 -40.27 59.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.8 mt -64.91 -52.9 53.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 47' ' ' ALA . 24.7 mt-10 -50.46 -37.04 36.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.8 mt -78.94 -61.93 1.86 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -48.8 -30.88 6.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.4 p -104.35 -15.65 15.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . 54.57 33.92 20.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 71.6 p -110.53 172.71 6.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.404 ' HD2' ' C ' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -109.12 82.04 1.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.932 179.864 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 67.2 mt -71.74 126.36 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.7 tp60 -124.59 115.22 20.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.445 ' CD1' HG12 ' A' ' 32' ' ' ILE . 33.2 mt -102.75 134.4 19.89 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.598 0.714 . . . . 0.0 111.172 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.68 145.52 57.88 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.705 2.27 . . . . 0.0 112.404 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 48.1 mtt-85 -51.8 157.92 1.82 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.547 0.689 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -13.69 34.99 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.642 2.228 . . . . 0.0 112.313 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.58 -24.0 14.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.429 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 4.3 t70 -64.85 141.29 98.31 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.57 0.7 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.429 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.8 Cg_endo -69.79 -1.15 8.01 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.687 2.258 . . . . 0.0 112.312 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.3 m -96.46 124.03 40.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -120.86 24.76 10.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -109.29 124.91 51.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.462 ' CD1' HD11 ' A' ' 23' ' ' ILE . 53.5 mt -77.71 148.37 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.195 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -112.29 133.86 54.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.1 pt -128.55 119.21 49.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.465 HG21 ' N ' ' A' ' 66' ' ' GLY . 30.6 m -127.9 143.43 51.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.465 ' N ' HG21 ' A' ' 65' ' ' THR . . . 158.0 -136.26 4.72 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.507 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 37.4 p -86.89 170.55 11.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.847 0.356 . . . . 0.0 111.181 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp -69.25 -25.5 64.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -93.76 -35.9 12.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.5 -52.87 35.79 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.503 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 72.3 mt -58.02 -47.26 87.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 0.0 111.177 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -53.19 -45.53 68.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -58.31 -52.64 64.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.62 -34.73 78.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 22.4 ttp85 -69.95 -35.59 74.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.563 ' CD2' HD11 ' A' ' 80' ' ' LEU . 56.3 t60 -73.69 -33.61 64.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -77.66 -44.62 27.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.4 p -65.5 -31.25 53.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.13 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.7 mt -79.97 -40.56 27.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.563 HD11 ' CD2' ' A' ' 76' ' ' HIS . 14.3 mt -60.98 -41.58 96.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 24.6 mt -66.94 -51.82 50.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 63.4 p -57.45 -45.14 85.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.65 -52.02 63.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -48.27 -46.49 35.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.56 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 73.0 mm-40 -56.05 -52.28 64.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -41.86 -46.78 4.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -67.14 -43.96 81.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.948 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -63.69 131.48 48.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.7 m -139.27 109.8 6.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 134.64 86.2 0.24 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.524 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.73 -26.1 28.04 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.714 2.276 . . . . 0.0 112.321 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 84.6 p -42.41 -47.43 4.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 50.1 m -71.58 131.14 42.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.506 179.984 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -137.87 144.8 41.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.91 0.386 . . . . 0.0 110.849 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.7 p -164.51 161.58 21.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.871 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.57 151.37 21.55 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.524 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.1 m -154.62 120.25 5.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.821 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -120.53 152.6 37.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.36 77.66 0.16 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -111.14 114.6 27.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.752 0.31 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.2 mt 60.49 40.42 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.3 t -90.0 -11.64 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.146 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -146.02 130.21 17.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.1 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 31.6 ttp180 -114.89 107.33 15.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.4 mt -125.13 103.01 7.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.974 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.5 tp60 -46.86 -45.37 20.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 56.3 p -60.02 174.99 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.454 ' NE2' ' HA2' ' A' ' 66' ' ' GLY . 32.5 mt-30 -130.32 162.42 29.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -104.85 161.11 14.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.1 p -146.26 132.39 19.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.905 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.07 172.4 11.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 p -139.18 155.47 47.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.6 p -128.62 110.38 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.53 112.27 4.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.5 pt -140.37 156.54 69.65 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.64 0.733 . . . . 0.0 111.109 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.509 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 54.0 Cg_endo -69.74 149.9 67.62 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.685 2.257 . . . . 0.0 112.375 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -65.0 -6.01 7.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.456 ' CG ' ' HB2' ' A' ' 24' ' ' PRO . 1.3 pt-20 -92.53 -16.81 25.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.551 ' CE1' ' HB2' ' A' ' 85' ' ' GLN . 63.1 m170 -100.28 -14.36 18.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 5.8 m170 -58.36 -51.92 67.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -48.64 -47.09 40.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -53.71 -26.27 22.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.6 t -80.94 -37.6 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.153 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -68.59 -43.66 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.05 172.81 14.56 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.475 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -59.01 -63.36 1.33 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.753 0.311 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -110.78 11.27 22.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 94.14 49.46 2.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.478 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -122.74 -25.69 4.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.933 0.397 . . . . 0.0 110.896 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.402 ' HE2' ' CD1' ' A' ' 42' ' ' LEU . 23.7 tptm -62.28 -66.69 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.6 tp -42.95 -48.11 5.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -52.17 -56.72 12.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -54.77 -47.22 74.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.402 ' CD1' ' HE2' ' A' ' 38' ' ' LYS . 12.3 mt -56.58 -52.27 65.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -50.25 -40.08 46.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 47' ' ' ALA . 30.6 mt -76.9 -67.01 0.75 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -42.51 -40.01 2.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.8 p -94.06 -16.48 23.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 44' ' ' LEU . . . 54.91 42.28 31.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 75.7 p -118.04 175.58 5.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.07 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -110.76 87.73 2.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 68.3 mt -82.37 115.15 24.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.144 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -112.81 113.03 24.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 82.6 mt -100.84 136.22 19.86 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.629 0.728 . . . . 0.0 111.112 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 158.9 55.37 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.327 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -64.55 158.44 67.18 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.626 0.727 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -4.94 15.01 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.678 2.252 . . . . 0.0 112.375 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -117.67 -10.11 10.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.417 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.6 t70 -76.02 140.84 70.48 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.608 0.718 . . . . 0.0 110.855 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.417 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.2 Cg_endo -69.78 1.04 4.81 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.647 2.231 . . . . 0.0 112.319 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.2 m -93.38 122.14 35.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 -119.12 17.34 13.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -107.78 120.24 41.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.414 ' CG2' ' N ' ' A' ' 63' ' ' LYS . 42.2 mt -76.25 151.41 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.08 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.414 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 1.8 ttmp? -113.29 136.63 52.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.1 pt -131.66 122.18 49.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.084 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.1 m -127.47 144.74 51.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.129 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.454 ' HA2' ' NE2' ' A' ' 16' ' ' GLN . . . 151.78 -154.69 25.71 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.446 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 70' ' ' GLY . 1.0 OUTLIER -76.5 143.36 40.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.829 0.347 . . . . 0.0 111.203 -179.871 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -41.58 -31.4 0.27 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -80.79 -38.67 28.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 67' ' ' THR . . . -67.09 -53.59 25.53 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.483 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 69.4 mt -57.23 -41.36 77.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.797 0.332 . . . . 0.0 111.074 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -57.02 -50.24 73.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -53.81 -57.15 11.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.25 -37.05 76.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.0 ttt-85 -67.33 -38.43 84.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.461 ' CD2' HD13 ' A' ' 80' ' ' LEU . 22.6 t60 -71.66 -31.89 67.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.798 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -78.3 -49.13 14.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.3 p -60.46 -35.17 61.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.5 mt -75.57 -40.03 57.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.461 HD13 ' CD2' ' A' ' 76' ' ' HIS . 14.8 mt -63.4 -40.69 97.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.97 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 54.7 mt -66.5 -55.5 18.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 90.2 p -54.64 -44.7 73.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.18 -55.73 30.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.079 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -42.96 -47.27 5.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.551 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 70.9 mm-40 -55.31 -50.11 70.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.94 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -54.96 -49.35 71.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.06 -53.54 55.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.421 ' HB3' ' NH1' ' A' ' 88' ' ' ARG . 15.5 mtp-105 -73.43 124.58 26.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 64.9 p -138.11 116.67 12.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 70.81 -113.79 4.97 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.407 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 144.49 54.19 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.258 . . . . 0.0 112.351 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 87.1 p -84.82 106.66 16.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 62.6 p -111.8 96.01 5.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.512 179.968 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.755 0.312 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 m -146.52 130.37 17.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.16 175.84 5.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.163 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.556 HG22 ' O ' ' A' ' 62' ' ' ILE . 0.8 OUTLIER -139.13 159.48 42.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.159 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.497 ' O ' HG13 ' A' ' 21' ' ' VAL . 4.3 p -133.08 109.52 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.99 109.74 5.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.163 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.812 HD11 HD12 ' A' ' 62' ' ' ILE . 2.7 pt -141.36 157.14 66.72 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.68 0.753 . . . . 0.0 111.091 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.505 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 54.2 Cg_endo -69.69 141.32 45.18 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.705 2.27 . . . . 0.0 112.37 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.4 mtmm -57.01 -12.05 1.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -81.53 -22.24 38.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.505 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 66.1 m170 -93.55 -22.97 18.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.437 ' ND1' HG23 ' A' ' 52' ' ' ILE . 8.2 m170 -49.58 -34.87 18.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.823 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -69.0 -41.22 78.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -62.66 -11.35 16.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.918 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 41.8 t -100.69 -27.14 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.069 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 81.5 mt -82.64 -40.96 17.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.08 164.06 13.29 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.46 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.1 ptpt -51.4 -52.28 47.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.79 0.329 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -110.81 -25.39 9.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 133.68 47.52 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.542 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -114.34 -37.01 4.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.958 0.409 . . . . 0.0 110.961 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.53 -65.66 0.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 tp -46.0 -45.58 15.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -53.42 -58.28 7.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.896 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -52.76 -43.17 65.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.5 mt -61.69 -55.6 28.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -48.78 -37.72 19.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.3 mt -78.61 -66.6 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -42.07 -40.57 2.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.9 p -94.39 -17.89 22.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.188 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 57.39 33.31 23.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.08 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 66.9 p -108.24 174.79 5.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -108.85 82.05 1.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 89.4 mt -71.23 137.86 22.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.142 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -135.72 113.7 11.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.84 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.505 HG23 ' HD2' ' A' ' 53' ' ' PRO . 53.4 mt -103.57 135.31 19.39 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.667 0.746 . . . . 0.0 111.045 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.505 ' HD2' HG23 ' A' ' 52' ' ' ILE . 53.3 Cg_endo -69.83 156.13 63.95 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.628 2.219 . . . . 0.0 112.354 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -60.81 156.16 47.75 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.543 0.687 . . . . 0.0 110.92 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -2.49 10.24 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.729 2.286 . . . . 0.0 112.273 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -116.26 -8.46 11.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.437 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 2.1 t70 -82.27 141.3 46.02 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.566 0.698 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.437 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.5 Cg_endo -69.73 3.38 2.79 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.666 2.244 . . . . 0.0 112.355 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.484 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 24.0 m -94.81 115.98 28.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.825 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 -112.34 12.26 20.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -103.97 123.11 46.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.812 HD12 HD11 ' A' ' 23' ' ' ILE . 53.0 mt -78.56 154.68 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.453 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 33.7 ttmt -115.75 131.48 56.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.577 ' HB ' HG23 ' A' ' 71' ' ' ILE . 1.1 pt -127.37 120.3 54.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 50.9 m -122.98 145.88 48.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.414 ' H ' HD11 ' A' ' 71' ' ' ILE . . . 152.05 -150.24 22.07 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.497 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 76.9 p -79.2 143.99 34.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 0.0 111.21 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? -40.9 -39.21 1.09 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -76.12 -42.28 47.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -59.58 -60.51 8.63 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.512 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.577 HG23 ' HB ' ' A' ' 64' ' ' ILE . 72.9 mt -51.78 -39.06 23.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.735 0.303 . . . . 0.0 111.111 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -60.19 -49.24 78.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.838 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -55.95 -44.01 78.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.22 -38.25 72.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.417 ' HA ' HG12 ' A' ' 78' ' ' VAL . 2.2 ttp-105 -69.03 -33.41 73.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -75.07 -32.62 61.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -80.02 -48.42 13.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.417 HG12 ' HA ' ' A' ' 75' ' ' ARG . 9.7 p -59.06 -33.42 50.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.7 mt -78.2 -45.96 21.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.8 mt -54.12 -42.07 69.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 19.4 mt -70.66 -52.86 25.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.181 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.3 m -58.1 -32.39 68.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.7 -51.23 43.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.081 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -47.75 -42.91 26.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.428 ' HB2' ' NE2' ' A' ' 27' ' ' HIS . 70.0 mm-40 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.535 ' O ' HG23 ' A' ' 65' ' ' THR . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.772 0.32 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.2 p -148.98 131.86 16.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.47 175.74 7.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.119 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.427 HG23 ' HD2' ' A' ' 63' ' ' LYS . 3.4 p -139.18 151.47 46.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.181 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.562 HG11 HG11 ' A' ' 78' ' ' VAL . 4.7 p -126.31 102.27 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.2 114.02 2.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.638 HD11 HD12 ' A' ' 62' ' ' ILE . 8.6 pt -140.96 155.49 68.85 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.656 0.741 . . . . 0.0 111.112 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.536 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.9 Cg_endo -69.76 146.19 59.46 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.648 2.232 . . . . 0.0 112.398 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.2 tptp -57.25 -12.25 2.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -81.42 -22.99 37.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.847 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.572 ' CD2' ' HG3' ' A' ' 85' ' ' GLN . 62.0 m170 -91.43 -30.92 16.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -47.62 -44.88 27.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.48 ' CZ ' ' HB3' ' A' ' 29' ' ' ARG . 4.6 ptp180 -63.06 -40.11 96.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -62.6 -30.06 71.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.436 HG21 HG23 ' A' ' 78' ' ' VAL . 97.6 t -78.23 -37.9 22.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.423 ' C ' ' HB3' ' A' ' 38' ' ' LYS . 77.5 mt -71.0 -39.34 74.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 34' ' ' LYS . . . 113.3 140.85 7.8 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 33' ' ' GLY . 22.5 tttt -34.73 -48.05 0.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.739 0.304 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -110.53 -31.04 7.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 132.32 46.3 0.12 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -120.86 -6.24 9.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.907 0.384 . . . . 0.0 110.901 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.423 ' HB3' ' C ' ' A' ' 32' ' ' ILE . 14.2 tptp -84.31 -24.8 29.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.658 HD11 ' OE2' ' A' ' 43' ' ' GLU . 7.6 tp -85.7 -46.86 10.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.401 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 6.0 pt20 -60.86 -42.75 98.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.972 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.401 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 4.3 t70 -66.44 -39.68 89.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.18 -54.37 30.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.658 ' OE2' HD11 ' A' ' 39' ' ' LEU . 30.1 mt-10 -48.2 -28.48 3.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.4 mt -88.29 -60.85 1.85 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -47.54 -34.73 7.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.7 p -99.45 -20.58 16.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.165 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 61.94 35.33 16.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.046 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 74.9 p -115.17 179.24 4.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -111.12 99.43 8.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.445 HD12 ' HG3' ' A' ' 43' ' ' GLU . 80.1 mt -88.25 116.07 29.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.158 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -115.15 107.82 15.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.64 HG23 ' HD2' ' A' ' 53' ' ' PRO . 53.9 mt -98.55 138.34 20.76 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.652 0.739 . . . . 0.0 111.087 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.64 ' HD2' HG23 ' A' ' 52' ' ' ILE . 54.1 Cg_endo -69.77 157.2 61.18 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.687 2.258 . . . . 0.0 112.41 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 38.8 mtt-85 -53.68 160.27 2.12 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.61 0.719 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.89 -7.64 21.6 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.653 2.235 . . . . 0.0 112.267 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -126.95 19.17 7.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.422 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 2.6 t70 -92.33 141.07 24.5 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.597 0.713 . . . . 0.0 110.825 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.422 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.8 Cg_endo -69.81 1.81 4.13 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.673 2.249 . . . . 0.0 112.335 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.7 m -101.98 120.47 40.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -115.85 28.07 8.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -114.41 118.0 32.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.638 HD12 HD11 ' A' ' 23' ' ' ILE . 40.4 mt -74.66 149.25 7.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.427 ' HD2' HG23 ' A' ' 20' ' ' THR . 6.7 tptm -110.84 136.3 50.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.897 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.532 HD12 HG23 ' A' ' 71' ' ' ILE . 1.0 OUTLIER -131.0 124.02 55.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.184 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.535 HG23 ' O ' ' A' ' 17' ' ' ALA . 33.5 m -129.85 142.35 50.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.175 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 154.77 -150.67 22.28 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.485 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 p -76.78 143.33 39.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.838 0.352 . . . . 0.0 111.166 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -41.08 -34.44 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.856 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -79.91 -44.86 19.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -57.04 -53.83 41.58 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.532 HG23 HD12 ' A' ' 64' ' ' ILE . 76.5 mt -56.39 -42.12 73.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 111.178 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -58.37 -46.71 85.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -56.27 -51.83 66.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.837 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.15 -37.07 84.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.107 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -69.65 -30.84 68.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 59.6 t60 -76.77 -30.83 56.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -81.15 -46.22 15.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.562 HG11 HG11 ' A' ' 21' ' ' VAL . 8.4 p -62.65 -31.95 53.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.075 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 15.7 mt -79.88 -41.49 26.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.0 mt -59.37 -41.12 88.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.92 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 22.1 mt -68.47 -50.94 51.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.198 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 24.1 p -57.91 -41.86 83.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.1 -54.06 51.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -46.29 -46.95 18.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.572 ' HG3' ' CD2' ' A' ' 27' ' ' HIS . 51.9 mm-40 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.959 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.842 0.353 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.2 p -147.26 123.8 11.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.31 170.13 10.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.02 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.529 HG22 ' O ' ' A' ' 62' ' ' ILE . 1.2 p -139.13 148.26 43.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.183 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.643 HG11 HG11 ' A' ' 78' ' ' VAL . 5.3 p -123.79 106.94 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.73 117.6 7.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.721 HD11 HD12 ' A' ' 62' ' ' ILE . 5.3 pt -144.39 156.65 57.12 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.626 0.727 . . . . 0.0 111.133 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.536 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 54.0 Cg_endo -69.74 151.27 69.14 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.725 2.283 . . . . 0.0 112.319 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.2 tptp -58.46 -17.82 23.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.522 ' HG3' ' CD2' ' A' ' 27' ' ' HIS . 2.5 pt-20 -78.52 -21.15 49.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.536 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 66.6 m170 -95.07 -11.52 28.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -70.42 -33.03 70.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.403 ' HB3' ' NH1' ' A' ' 29' ' ' ARG . 1.1 ptp180 -76.85 -28.87 55.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -74.11 -9.3 58.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 27' ' ' HIS . 62.8 t -103.02 -26.03 3.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.412 HG22 ' HA2' ' A' ' 36' ' ' GLY . 59.8 mt -83.76 -39.67 15.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.49 160.84 11.87 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.482 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 35' ' ' ASN . 27.3 pttt -55.11 -44.88 75.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.686 0.279 . . . . 0.0 110.837 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.411 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 48.3 m-20 -111.07 -26.88 9.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.412 ' HA2' HG22 ' A' ' 32' ' ' ILE . . . 127.1 50.42 0.16 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.486 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -123.37 -24.83 4.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.958 0.408 . . . . 0.0 110.928 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -56.27 -55.4 33.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.405 HD11 ' HB ' ' A' ' 50' ' ' ILE . 8.7 tp -54.16 -42.82 70.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -55.05 -62.21 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -49.06 -36.43 18.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.4 mt -67.95 -56.41 9.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -49.05 -25.53 2.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.6 mt -89.0 -63.98 1.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -46.25 -37.46 7.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.423 HG21 ' HB2' ' A' ' 74' ' ' ALA . 14.4 p -97.7 -15.61 20.3 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.128 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 54.88 33.08 19.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.077 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 64.0 p -108.51 173.99 6.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.152 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -110.07 82.67 1.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.405 ' HB ' HD11 ' A' ' 39' ' ' LEU . 67.8 mt -72.2 135.59 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -131.92 107.71 8.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.627 HG23 ' HD2' ' A' ' 53' ' ' PRO . 43.6 mt -96.77 138.13 21.38 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.578 0.704 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.627 ' HD2' HG23 ' A' ' 52' ' ' ILE . 53.2 Cg_endo -69.87 160.3 50.18 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.641 2.227 . . . . 0.0 112.331 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -72.8 156.85 89.56 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.592 0.711 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -15.63 37.12 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.655 2.236 . . . . 0.0 112.33 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -95.06 -16.43 22.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.844 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.429 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 2.5 t70 -87.52 140.62 31.87 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.617 0.722 . . . . 0.0 110.883 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.429 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 54.4 Cg_endo -69.68 3.12 2.92 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 2.262 . . . . 0.0 112.377 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.5 m -88.54 123.15 32.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -126.06 26.97 6.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -109.77 118.53 36.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.961 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.721 HD12 HD11 ' A' ' 23' ' ' ILE . 46.6 mt -73.95 148.33 8.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.977 0.418 . . . . 0.0 111.115 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.427 ' HA ' HG22 ' A' ' 20' ' ' THR . 19.5 tttt -115.71 134.93 54.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.945 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.7 HD12 ' CG2' ' A' ' 71' ' ' ILE . 1.1 pt -127.84 126.89 67.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.136 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.6 m -129.29 138.33 51.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 157.59 -152.91 24.18 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.427 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 62.8 p -81.42 144.11 31.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.883 0.373 . . . . 0.0 111.185 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -40.68 -34.36 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -77.28 -44.03 31.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -61.93 -58.31 13.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.517 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.7 ' CG2' HD12 ' A' ' 64' ' ' ILE . 68.2 mt -51.59 -41.86 28.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.797 0.332 . . . . 0.0 111.141 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -54.34 -48.94 70.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -54.74 -56.77 15.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.004 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.423 ' HB2' HG21 ' A' ' 46' ' ' THR . . . -60.26 -37.09 79.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.047 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.8 ttp85 -68.58 -36.56 78.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -70.26 -28.82 65.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -82.84 -50.15 8.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.643 HG11 HG11 ' A' ' 21' ' ' VAL . 5.1 p -60.08 -29.97 44.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.188 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.8 mt -81.74 -35.45 29.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.7 mt -66.83 -46.55 74.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 40.9 mt -58.54 -58.76 5.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.178 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 64.1 p -52.82 -49.53 65.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -47.73 -54.7 11.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.082 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -50.77 -44.18 58.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.531 ' CB ' ' NE2' ' A' ' 27' ' ' HIS . 43.3 mm-40 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.91 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.808 0.337 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.6 p -149.66 124.41 9.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.844 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -123.8 169.68 11.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.106 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.451 HG22 ' O ' ' A' ' 62' ' ' ILE . 1.8 p -139.05 160.55 39.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.45 HG11 HG11 ' A' ' 78' ' ' VAL . 2.7 p -134.19 111.85 15.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.01 112.2 5.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.103 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.764 HD11 HD12 ' A' ' 62' ' ' ILE . 5.8 pt -142.21 156.4 64.52 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.643 0.735 . . . . 0.0 111.14 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 140.76 43.37 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.645 2.23 . . . . 0.0 112.357 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.4 mmmm -53.57 -15.27 1.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.438 ' O ' ' NH1' ' A' ' 29' ' ' ARG . 2.9 pt-20 -75.63 -29.22 59.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.51 ' CE1' ' HB2' ' A' ' 85' ' ' GLN . 64.7 m170 -91.45 -9.76 43.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.777 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -64.86 -38.58 91.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.438 ' NH1' ' O ' ' A' ' 26' ' ' GLU . 3.5 ptp85 -73.01 -30.04 63.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -68.64 -19.71 64.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 88.9 t -93.18 -33.12 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.422 ' C ' ' HB3' ' A' ' 38' ' ' LYS . 92.3 mt -71.38 -43.24 73.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 34' ' ' LYS . . . 124.46 140.33 5.49 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.52 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 33' ' ' GLY . 44.5 tttm -37.93 -45.42 0.87 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.839 0.352 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -111.34 -28.73 8.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.2 44.02 0.26 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.441 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -126.06 -6.86 6.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.913 0.387 . . . . 0.0 110.879 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.422 ' HB3' ' C ' ' A' ' 32' ' ' ILE . 21.9 tptm -75.2 -48.63 22.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.7 tp -57.42 -46.77 83.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -49.28 -61.24 2.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -48.05 -43.36 30.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.1 mt -61.71 -53.45 55.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -49.07 -32.94 10.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 47' ' ' ALA . 28.4 mt -83.62 -66.9 0.84 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -40.11 -36.67 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 29.2 p -100.6 -16.52 17.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.167 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' LEU . . . 57.43 35.42 25.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 64.3 p -110.04 175.97 5.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.182 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -113.1 77.15 1.02 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 70.6 mt -66.61 126.48 26.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -123.73 114.95 20.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.637 HG23 ' HD2' ' A' ' 53' ' ' PRO . 38.0 mt -102.24 138.25 19.67 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.686 0.755 . . . . 0.0 111.122 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.637 ' HD2' HG23 ' A' ' 52' ' ' ILE . 53.4 Cg_endo -69.81 154.92 66.98 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.714 2.276 . . . . 0.0 112.318 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 35.2 mtp180 -67.53 158.8 81.27 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.559 0.695 . . . . 0.0 110.943 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -19.0 36.89 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.705 2.27 . . . . 0.0 112.352 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -90.33 -27.04 19.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.805 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.431 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 2.1 t70 -77.16 140.99 66.39 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.631 0.729 . . . . 0.0 110.817 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.431 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.9 Cg_endo -69.77 -0.11 6.45 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.73 2.287 . . . . 0.0 112.284 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.8 m -80.97 122.9 27.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -124.82 21.97 8.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -109.17 120.96 44.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.764 HD12 HD11 ' A' ' 23' ' ' ILE . 51.9 mt -73.99 149.94 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.17 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.444 ' HA ' HG22 ' A' ' 20' ' ' THR . 18.8 tttm -114.87 136.79 52.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.579 HD12 ' CG2' ' A' ' 71' ' ' ILE . 1.1 pt -131.28 115.15 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.16 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.9 m -118.26 133.04 56.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.533 ' H ' HD11 ' A' ' 71' ' ' ILE . . . 166.01 -146.3 10.89 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.533 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 47.7 p -83.4 164.52 19.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.368 . . . . 0.0 111.117 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -61.32 -30.11 70.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -87.01 -42.4 13.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.946 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -61.22 -56.6 22.82 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.579 ' CG2' HD12 ' A' ' 64' ' ' ILE . 78.6 mt -52.25 -43.29 39.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.82 0.343 . . . . 0.0 111.134 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -51.33 -59.67 3.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -45.57 -56.08 5.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.18 -41.34 83.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.152 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.44 ' O ' HD12 ' A' ' 79' ' ' LEU . 5.8 ttp-105 -65.74 -33.07 75.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 57.2 t60 -75.32 -34.95 61.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -74.22 -44.8 51.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.45 HG11 HG11 ' A' ' 21' ' ' VAL . 5.1 p -64.85 -38.36 82.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.44 HD12 ' O ' ' A' ' 75' ' ' ARG . 10.0 mt -71.24 -38.55 71.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.4 mt -62.76 -51.0 68.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 36.3 mt -55.24 -60.8 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 24.6 p -56.39 -43.74 79.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.83 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.49 -41.8 77.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.175 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -65.65 -40.45 92.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.51 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 62.3 mm-40 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.442 ' O ' HG23 ' A' ' 65' ' ' THR . . . . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.828 0.347 . . . . 0.0 111.106 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 p -149.28 124.21 9.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.86 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -119.45 170.39 9.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.044 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.432 HG22 ' O ' ' A' ' 62' ' ' ILE . 1.1 p -139.1 149.39 44.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.115 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.512 ' O ' HG13 ' A' ' 21' ' ' VAL . 5.5 p -124.96 109.9 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.6 115.93 8.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.792 HD11 HD12 ' A' ' 62' ' ' ILE . 2.5 pt -141.54 158.11 64.0 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.648 0.737 . . . . 0.0 111.129 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.546 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.2 Cg_endo -69.74 149.58 67.22 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.653 2.235 . . . . 0.0 112.381 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -11.59 10.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.432 ' O ' ' CE1' ' A' ' 30' ' ' PHE . 2.2 pt-20 -88.7 -11.72 44.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.546 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 59.2 m170 -105.7 -10.89 16.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.857 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -65.77 -47.39 75.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -62.77 -29.36 70.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.432 ' CE1' ' O ' ' A' ' 26' ' ' GLU . 23.8 m-85 -64.0 -32.72 74.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.516 HG21 HG23 ' A' ' 78' ' ' VAL . 77.5 t -79.91 -32.95 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.138 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.426 ' C ' ' HB3' ' A' ' 38' ' ' LYS . 96.8 mt -69.48 -44.93 79.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 119.13 164.16 12.65 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.443 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -39.55 -61.41 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.34 . . . . 0.0 110.935 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -111.25 -34.79 6.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 150.94 54.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.412 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -122.05 -45.49 2.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.351 . . . . 0.0 110.833 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.426 ' HB3' ' C ' ' A' ' 32' ' ' ILE . 14.4 tptm -41.58 -59.54 1.59 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.968 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.439 HD11 ' HB ' ' A' ' 50' ' ' ILE . 6.9 tp -51.24 -42.46 61.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 -54.59 -55.87 24.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -58.32 -45.99 87.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.9 mt -56.73 -55.07 38.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 47' ' ' ALA . 20.9 mt-10 -47.26 -41.38 18.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 47' ' ' ALA . 32.6 mt -74.66 -66.91 0.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.8 ttpt -42.18 -33.66 0.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.416 ' O ' HG23 ' A' ' 48' ' ' THR . 22.4 p -102.29 -15.31 16.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . 52.02 39.8 27.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.042 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 46' ' ' THR . 68.1 p -114.96 175.47 5.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.133 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -109.22 82.8 1.65 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.846 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.439 ' HB ' HD11 ' A' ' 39' ' ' LEU . 80.4 mt -72.58 128.2 35.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.165 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -127.74 110.31 12.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.96 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.499 HG23 ' HD2' ' A' ' 53' ' ' PRO . 36.3 mt -99.67 134.83 20.8 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.648 0.737 . . . . 0.0 111.156 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.499 ' HD2' HG23 ' A' ' 52' ' ' ILE . 53.9 Cg_endo -69.69 151.07 69.36 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.7 2.267 . . . . 0.0 112.308 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -58.18 157.62 16.28 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.629 0.728 . . . . 0.0 110.846 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.9 -17.35 36.99 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.665 2.243 . . . . 0.0 112.375 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -97.55 -22.73 16.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -69.98 139.28 87.87 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.623 0.725 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 3.2 2.89 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.717 2.278 . . . . 0.0 112.385 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.445 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 12.7 m -97.61 118.9 35.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.817 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -118.8 30.83 6.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -112.0 119.56 38.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.792 HD12 HD11 ' A' ' 23' ' ' ILE . 43.8 mt -74.56 148.1 8.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -112.89 134.24 54.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.582 ' HB ' HG23 ' A' ' 71' ' ' ILE . 1.1 pt -130.46 120.3 48.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.155 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 17' ' ' ALA . 30.3 m -125.3 145.81 49.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.066 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.419 ' H ' HD11 ' A' ' 71' ' ' ILE . . . 153.6 -150.25 21.9 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.409 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 75.2 p -78.59 144.04 35.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.894 0.378 . . . . 0.0 111.054 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -39.41 -36.66 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -80.97 -42.58 21.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -56.6 -59.28 11.05 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.582 HG23 ' HB ' ' A' ' 64' ' ' ILE . 71.8 mt -53.2 -44.99 54.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.779 0.323 . . . . 0.0 111.119 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -53.12 -48.07 68.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -54.19 -57.79 9.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.805 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.18 -34.9 75.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.606 ' O ' HD12 ' A' ' 79' ' ' LEU . 26.8 ttp85 -68.77 -35.03 76.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 35.6 t60 -75.15 -39.57 60.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.796 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -70.67 -49.55 46.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.516 HG23 HG21 ' A' ' 31' ' ' VAL . 9.8 p -58.01 -35.19 51.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.606 HD12 ' O ' ' A' ' 75' ' ' ARG . 13.2 mt -75.47 -39.01 59.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.8 mt -62.41 -41.51 98.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 19.1 mt -65.85 -57.46 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.8 t -52.85 -45.03 67.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.45 -54.78 39.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.032 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -51.08 -43.02 60.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.464 ' CB ' ' NE2' ' A' ' 27' ' ' HIS . 76.5 mm-40 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.42 ' O ' HD11 ' A' ' 71' ' ' ILE . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.753 0.311 . . . . 0.0 111.143 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 p -149.38 124.7 10.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -116.89 175.32 5.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.087 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.529 HG22 ' O ' ' A' ' 62' ' ' ILE . 0.8 OUTLIER -139.21 154.81 48.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.191 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.503 ' O ' HG13 ' A' ' 21' ' ' VAL . 5.1 p -129.56 110.46 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.198 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.39 111.41 5.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 1.067 HD11 HD12 ' A' ' 62' ' ' ILE . 2.9 pt -143.15 156.38 61.46 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.677 0.751 . . . . 0.0 111.111 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.531 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.6 Cg_endo -69.7 140.89 44.03 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.82 2.347 . . . . 0.0 112.282 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.6 mtmm -55.83 -13.48 1.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.822 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -79.56 -25.0 41.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.531 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 67.4 m170 -90.77 -17.94 25.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.83 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -54.78 -36.76 65.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -64.74 -41.75 95.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -58.62 -25.06 62.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.4 t -88.28 -36.99 9.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.13 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.414 ' C ' ' HB3' ' A' ' 38' ' ' LYS . 87.9 mt -67.82 -42.22 85.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.08 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 116.19 168.1 15.04 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.49 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -58.38 -51.85 68.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.734 0.302 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -109.27 -17.37 13.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 122.02 54.52 0.22 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -128.45 -30.19 2.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.938 0.399 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.414 ' HB3' ' C ' ' A' ' 32' ' ' ILE . 13.1 tptm -56.11 -24.36 40.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.4 tp -89.29 -42.97 11.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -64.82 -40.74 95.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -70.85 -36.88 73.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.0 mt -63.8 -51.45 64.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -55.78 -31.06 62.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 42.0 mt -80.02 -63.65 1.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.7 ttpp -47.17 -38.47 11.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.2 p -95.02 -19.99 19.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.165 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 61.74 47.3 6.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.143 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 65.3 p -123.91 176.75 6.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -112.25 85.35 2.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 60.7 mt -77.92 130.16 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.064 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -127.48 109.18 11.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.502 HG23 ' HD2' ' A' ' 53' ' ' PRO . 81.1 mt -97.55 134.32 22.65 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.645 0.736 . . . . 0.0 111.162 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.502 ' HD2' HG23 ' A' ' 52' ' ' ILE . 53.7 Cg_endo -69.72 152.57 69.52 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.726 2.284 . . . . 0.0 112.359 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -60.78 156.97 42.29 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.516 0.674 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -2.39 10.14 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.687 2.258 . . . . 0.0 112.306 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -116.03 -6.21 11.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.432 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.4 t70 -87.0 141.11 32.98 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.558 0.694 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.432 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 54.5 Cg_endo -69.69 2.9 3.08 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.667 2.245 . . . . 0.0 112.392 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.466 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 36.4 m -92.23 120.35 32.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.776 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -117.45 5.69 12.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -98.63 119.12 36.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 1.067 HD12 HD11 ' A' ' 23' ' ' ILE . 43.9 mt -76.83 151.98 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.178 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.409 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 26.2 ttpt -114.68 129.5 56.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.861 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.606 ' HB ' HG23 ' A' ' 71' ' ' ILE . 1.1 pt -123.33 116.98 50.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.138 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 60.6 m -118.01 139.17 51.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.624 ' H ' HD11 ' A' ' 71' ' ' ILE . . . 160.09 -155.93 27.11 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.527 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 69' ' ' GLU . 34.7 p -76.75 139.64 40.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.909 0.385 . . . . 0.0 111.127 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 67' ' ' THR . 8.0 tmtt? -36.45 -30.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 67' ' ' THR . 18.5 mm-40 -83.43 -46.68 12.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 67' ' ' THR . . . -57.12 -60.81 8.35 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.432 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.624 HD11 ' H ' ' A' ' 66' ' ' GLY . 73.6 mt -49.48 -42.72 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 0.0 111.088 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -55.53 -52.47 63.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.962 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 30.3 mttp -51.09 -55.0 19.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.62 -36.53 83.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.1 ttp85 -67.47 -33.12 74.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -74.07 -41.79 61.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -67.8 -51.71 45.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.416 HG11 HG11 ' A' ' 21' ' ' VAL . 4.5 p -56.57 -34.13 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.082 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.1 mt -77.21 -41.73 40.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.1 mt -60.28 -43.55 96.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 25.1 mt -66.3 -54.99 20.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.4 t -53.85 -47.43 71.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.55 -47.08 76.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.095 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -52.37 -41.55 63.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.434 ' HB2' ' NE2' ' A' ' 27' ' ' HIS . 50.6 mm-40 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.54 ' O ' HD11 ' A' ' 71' ' ' ILE . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.837 0.351 . . . . 0.0 111.078 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.471 ' HB3' HG23 ' A' ' 65' ' ' THR . 4.0 p -137.05 126.21 24.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -118.94 174.1 6.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.179 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 p -139.09 157.7 45.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.125 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.522 ' O ' HG13 ' A' ' 21' ' ' VAL . 4.7 p -132.73 105.57 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.79 114.98 4.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.079 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.74 HD11 HD12 ' A' ' 62' ' ' ILE . 10.3 pt -144.55 155.31 56.95 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.653 0.739 . . . . 0.0 111.114 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.468 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.1 Cg_endo -69.84 145.28 56.23 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.7 2.266 . . . . 0.0 112.319 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -57.74 -11.9 2.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.401 ' OE2' ' O ' ' A' ' 26' ' ' GLU . 3.1 tp10 -80.45 -31.59 37.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.475 ' NE2' ' CB ' ' A' ' 85' ' ' GLN . 64.9 m170 -86.65 -16.61 36.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -56.69 -54.54 44.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -50.08 -42.39 49.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -57.38 -31.44 65.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.826 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.1 t -78.4 -36.55 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.173 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.408 ' C ' ' HB3' ' A' ' 38' ' ' LYS . 41.9 mt -72.52 -41.36 63.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.116 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.2 148.46 8.8 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.531 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 35' ' ' ASN . 37.1 pttt -47.31 -43.07 22.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.717 0.294 . . . . 0.0 110.871 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.425 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 1.0 OUTLIER -109.8 -25.85 10.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.885 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 123.18 51.0 0.21 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.53 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -126.51 -28.11 3.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.892 0.377 . . . . 0.0 110.91 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.408 ' HB3' ' C ' ' A' ' 32' ' ' ILE . 25.2 tptt -56.17 -26.41 50.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.7 tp -87.65 -43.87 11.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -63.69 -38.74 92.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -72.51 -33.61 67.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.6 mt -70.84 -51.32 27.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -52.35 -29.38 23.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.1 mt -83.89 -65.89 0.96 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.969 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.7 ttpp -45.29 -35.8 3.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.441 HG21 ' HB2' ' A' ' 74' ' ' ALA . 27.8 p -99.54 -11.2 21.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.133 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 50.58 42.91 27.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.411 HG23 ' O ' ' A' ' 46' ' ' THR . 53.7 p -116.39 -178.82 3.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.21 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.3 tppt? -116.21 82.38 1.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 73.7 mt -75.37 119.99 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.104 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -121.6 107.07 11.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.679 HG23 ' HD2' ' A' ' 53' ' ' PRO . 56.1 mt -91.68 138.64 25.01 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.556 0.693 . . . . 0.0 111.17 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.679 ' HD2' HG23 ' A' ' 52' ' ' ILE . 52.9 Cg_endo -69.87 145.89 57.91 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.686 2.257 . . . . 0.0 112.315 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 29.1 mtt85 -57.36 156.78 14.5 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.565 0.698 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.67 -13.03 34.29 Favored 'Trans proline' 0 C--O 1.231 0.125 0 C-N-CA 122.672 2.248 . . . . 0.0 112.385 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -97.26 -24.51 15.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.432 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.4 t70 -77.7 141.12 64.14 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.574 0.702 . . . . 0.0 110.847 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.432 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 54.1 Cg_endo -69.72 0.35 5.75 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.702 2.268 . . . . 0.0 112.32 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.467 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 16.8 m -83.23 120.54 25.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.839 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -121.54 21.23 10.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -108.62 121.78 45.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.74 HD12 HD11 ' A' ' 23' ' ' ILE . 53.4 mt -75.26 149.28 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -113.92 132.51 55.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.462 ' HB ' HG23 ' A' ' 71' ' ' ILE . 1.1 pt -127.61 114.94 37.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.471 HG23 ' HB3' ' A' ' 18' ' ' SER . 7.6 m -125.33 138.42 54.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.452 ' H ' HD11 ' A' ' 71' ' ' ILE . . . 161.57 -141.51 7.35 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.494 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.2 p -81.21 139.62 35.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.863 0.363 . . . . 0.0 111.124 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.0 ttmt -42.61 -33.65 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.959 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -83.58 -35.5 24.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.51 -52.4 35.27 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.54 HD11 ' O ' ' A' ' 17' ' ' ALA . 83.0 mt -55.01 -48.31 75.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.796 0.331 . . . . 0.0 111.117 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -53.46 -44.17 68.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -58.38 -53.6 56.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.793 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.441 ' HB2' HG21 ' A' ' 46' ' ' THR . . . -64.17 -33.77 76.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -68.97 -37.08 78.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -71.19 -33.51 70.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -76.88 -50.92 12.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.6 p -56.96 -37.85 56.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.173 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.5 mt -73.82 -39.76 63.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.1 mt -61.19 -41.44 96.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.981 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 21.0 mt -69.93 -49.11 59.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.162 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 67.1 p -60.04 -42.14 93.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.89 -55.55 33.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.055 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -45.65 -43.76 12.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.475 ' CB ' ' NE2' ' A' ' 27' ' ' HIS . 71.5 mm-40 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.823 0.344 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.2 p -141.58 128.49 20.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.81 170.76 9.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.463 HG22 ' HA ' ' A' ' 63' ' ' LYS . 2.4 p -138.98 159.35 42.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.529 ' O ' HG13 ' A' ' 21' ' ' VAL . 5.7 p -132.97 107.58 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.11 116.22 6.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.062 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.763 HD11 HD12 ' A' ' 62' ' ' ILE . 8.5 pt -145.83 155.69 52.01 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.613 0.72 . . . . 0.0 111.195 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.522 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.4 Cg_endo -69.71 139.41 40.33 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.423 ' HZ2' ' HB3' ' A' ' 25' ' ' LYS . 1.2 mmmp? -51.03 -17.74 0.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.84 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -74.36 -33.45 63.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.522 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 63.0 m170 -85.42 -12.24 52.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -63.07 -42.35 99.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -66.41 -19.45 65.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -80.02 -26.8 39.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.5 t -82.44 -32.72 10.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.156 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.454 HG22 ' HA2' ' A' ' 36' ' ' GLY . 78.7 mt -72.33 -44.18 63.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.123 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 34' ' ' LYS . . . 122.98 162.98 11.67 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 33' ' ' GLY . 21.6 tttt -37.27 -61.46 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.771 0.319 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 -112.08 -34.42 5.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.454 ' HA2' HG22 ' A' ' 32' ' ' ILE . . . 150.12 57.1 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.469 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -130.45 -44.26 1.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.898 0.38 . . . . 0.0 110.879 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.5 tptt -40.07 -57.51 1.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.5 tp -53.51 -44.57 69.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.941 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.8 mm100 -49.75 -57.45 7.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.98 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -56.08 -45.22 79.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.7 mt -55.73 -59.91 4.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 47' ' ' ALA . 29.8 mt-10 -42.09 -39.28 1.92 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 47' ' ' ALA . 20.9 mt -76.73 -66.62 0.79 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -40.17 -36.49 0.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 20.1 p -101.0 -17.16 16.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . 57.41 34.52 24.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 63.3 p -109.68 173.69 6.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.5 tppt? -109.29 86.14 2.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 77.3 mt -78.59 120.78 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.122 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -121.27 112.91 19.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.649 HG23 ' HD2' ' A' ' 53' ' ' PRO . 51.8 mt -96.39 138.02 21.54 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.614 0.721 . . . . 0.0 111.12 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.649 ' HD2' HG23 ' A' ' 52' ' ' ILE . 53.3 Cg_endo -69.77 151.7 69.07 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.655 2.237 . . . . 0.0 112.306 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -61.2 155.64 55.0 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.59 0.709 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -9.83 27.1 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.682 2.255 . . . . 0.0 112.332 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -103.21 -21.61 13.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.849 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.427 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.5 t70 -75.82 141.27 71.71 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.614 0.721 . . . . 0.0 110.788 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.6 Cg_endo -69.75 -0.53 7.04 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.715 2.276 . . . . 0.0 112.371 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.497 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 9.0 m -90.02 113.22 24.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 -113.57 25.21 11.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -109.07 122.14 46.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.763 HD12 HD11 ' A' ' 23' ' ' ILE . 46.9 mt -74.67 150.32 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.098 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.463 ' HA ' HG22 ' A' ' 20' ' ' THR . 17.5 tttp -114.25 139.38 49.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.573 ' HB ' HG23 ' A' ' 71' ' ' ILE . 1.0 OUTLIER -136.1 115.2 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.845 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 98.0 m -120.65 150.11 41.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 149.7 -143.87 11.32 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.446 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 57.8 p -80.74 163.88 23.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.853 0.358 . . . . 0.0 111.127 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.2 mmmt -63.56 -24.64 67.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -92.29 -36.78 13.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.19 -55.91 21.09 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.42 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.573 HG23 ' HB ' ' A' ' 64' ' ' ILE . 71.9 mt -54.89 -46.63 75.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.786 0.327 . . . . 0.0 111.14 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -52.42 -46.83 66.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -56.49 -54.13 49.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.35 -35.77 80.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.101 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.408 ' HG3' HD11 ' A' ' 64' ' ' ILE . 7.3 ttm180 -68.16 -41.43 81.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -69.8 -27.92 65.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -82.92 -49.73 9.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.436 HG11 HG11 ' A' ' 21' ' ' VAL . 4.3 p -59.13 -37.18 66.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.5 mt -72.05 -42.2 66.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.6 mt -58.2 -52.48 65.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.93 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 31.6 mt -60.48 -53.12 53.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.8 m -55.2 -36.43 65.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.06 -53.69 41.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.099 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -46.23 -41.36 12.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.505 ' CB ' ' NE2' ' A' ' 27' ' ' HIS . 70.8 mm-40 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.922 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.878 0.37 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.562 ' HB2' HG23 ' A' ' 65' ' ' THR . 30.1 t -150.41 156.36 41.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -140.96 170.27 16.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.098 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.496 HG22 ' HA ' ' A' ' 63' ' ' LYS . 3.3 p -138.98 155.99 47.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.514 ' O ' HG13 ' A' ' 21' ' ' VAL . 6.1 p -132.64 109.38 14.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.5 ' HB2' ' OE1' ' A' ' 61' ' ' GLN . . . -63.53 115.15 4.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.019 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.853 HD11 HD12 ' A' ' 62' ' ' ILE . 5.4 pt -142.37 155.71 64.25 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.665 0.745 . . . . 0.0 111.106 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.536 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.7 Cg_endo -69.79 137.96 36.59 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.687 2.258 . . . . 0.0 112.273 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.8 mmmm -51.54 -16.48 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.965 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -76.3 -32.46 58.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.536 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 61.4 m170 -87.51 -11.25 49.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -61.68 -43.22 99.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.467 ' HG3' ' N ' ' A' ' 30' ' ' PHE . 14.2 ptm180 -61.87 -37.51 84.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.467 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 24.1 m-85 -62.04 -32.02 72.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.407 ' CG2' HG23 ' A' ' 78' ' ' VAL . 87.0 t -75.63 -33.92 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.156 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 95.7 mt -72.67 -44.89 59.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.081 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.88 157.36 9.77 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.507 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -49.47 -60.11 3.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.742 0.306 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -110.5 6.39 21.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 97.67 63.37 0.89 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -132.88 -36.48 1.04 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.998 0.428 . . . . 0.0 110.892 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.8 -66.31 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.5 tp -44.31 -43.49 7.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.994 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -57.71 -56.63 19.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.913 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -58.45 -41.69 85.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 42' ' ' LEU . 11.8 mt -60.97 -53.12 61.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.486 ' O ' ' N ' ' A' ' 47' ' ' ALA . 23.8 mt-10 -49.7 -40.87 41.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.8 mt -75.33 -65.0 0.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.961 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -44.4 -34.9 2.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 22.1 p -99.99 -18.46 17.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.173 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . 57.96 34.85 24.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.038 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 77.9 p -111.12 172.73 6.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -110.31 83.67 1.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.819 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.43 HD12 ' HG3' ' A' ' 43' ' ' GLU . 43.3 mt -72.21 140.39 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.113 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -136.34 115.91 12.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.493 HG23 ' HD2' ' A' ' 53' ' ' PRO . 50.5 mt -103.56 134.51 19.71 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.64 0.733 . . . . 0.0 111.163 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.493 ' HD2' HG23 ' A' ' 52' ' ' ILE . 54.0 Cg_endo -69.68 154.31 68.22 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.697 2.265 . . . . 0.0 112.41 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.6 mtp85 -64.01 158.73 60.95 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.607 0.718 . . . . 0.0 110.831 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -16.86 37.79 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.732 2.288 . . . . 0.0 112.313 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -95.98 -24.32 16.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.426 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 4.3 t70 -71.74 140.9 84.25 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.555 0.693 . . . . 0.0 110.874 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.426 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.5 Cg_endo -69.8 -1.29 8.26 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.7 2.266 . . . . 0.0 112.34 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.4 m -88.25 121.91 31.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -122.61 24.44 9.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.5 ' OE1' ' HB2' ' A' ' 22' ' ' ALA . 14.1 mt-30 -112.01 120.75 42.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.953 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.853 HD12 HD11 ' A' ' 23' ' ' ILE . 50.8 mt -73.71 149.69 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.158 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.496 ' HA ' HG22 ' A' ' 20' ' ' THR . 22.3 tttt -115.33 139.92 49.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.553 HD12 ' CG2' ' A' ' 71' ' ' ILE . 1.0 OUTLIER -133.32 122.11 43.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 179.872 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.562 HG23 ' HB2' ' A' ' 18' ' ' SER . 3.7 m -120.83 143.97 48.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.166 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 153.71 -143.69 10.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.469 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.3 p -94.2 147.95 22.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.916 0.389 . . . . 0.0 111.12 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -40.24 -35.22 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -76.25 -60.22 2.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -49.0 -56.48 10.04 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.445 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.553 ' CG2' HD12 ' A' ' 64' ' ' ILE . 68.1 mt -53.19 -42.16 45.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.77 0.319 . . . . 0.0 111.102 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -55.54 -58.83 6.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -47.81 -51.21 23.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.955 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.26 -41.54 98.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.044 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.46 ' NH1' HD11 ' A' ' 79' ' ' LEU . 26.5 ttt-85 -67.42 -30.34 70.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -78.03 -31.79 50.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -79.54 -45.45 19.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.407 HG23 ' CG2' ' A' ' 31' ' ' VAL . 9.5 p -63.18 -34.63 67.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.144 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.46 HD11 ' NH1' ' A' ' 75' ' ' ARG . 11.1 mt -76.15 -43.61 42.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.2 mt -58.89 -43.83 91.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 19.1 mt -69.97 -43.53 79.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.1 m -64.89 -38.65 91.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.15 -54.51 36.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -42.25 -48.33 4.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.49 ' CB ' ' NE2' ' A' ' 27' ' ' HIS . 84.0 mm-40 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.928 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.538 ' O ' HD11 ' A' ' 71' ' ' ILE . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.761 0.315 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.3 p -147.36 121.33 9.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -116.68 175.73 5.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 p -139.04 153.01 48.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.478 ' CG1' ' HB ' ' A' ' 62' ' ' ILE . 3.9 p -126.41 110.89 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.45 112.45 6.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.091 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 1.008 HD11 HD12 ' A' ' 62' ' ' ILE . 4.3 pt -146.63 156.43 48.69 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.613 0.72 . . . . 0.0 111.13 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.414 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.8 Cg_endo -69.8 140.17 41.86 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.72 2.28 . . . . 0.0 112.29 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.4 mttp -53.62 -15.6 1.24 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.883 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -76.13 -29.99 58.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.491 ' NE2' ' CB ' ' A' ' 85' ' ' GLN . 65.7 m170 -87.09 -15.36 38.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.979 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -57.13 -40.88 78.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -63.5 -36.91 85.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -62.98 -18.06 62.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.0 t -92.92 -17.19 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.13 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.532 HG22 ' HA2' ' A' ' 36' ' ' GLY . 26.0 mt -95.24 -32.23 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.451 ' CA ' ' HB2' ' A' ' 38' ' ' LYS . . . 104.8 168.69 24.35 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.489 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm -71.75 -33.99 69.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.833 0.349 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -110.75 -10.39 14.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.532 ' HA2' HG22 ' A' ' 32' ' ' ILE . . . 99.79 43.76 2.4 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.461 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -119.94 -16.48 8.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.943 0.401 . . . . 0.0 110.943 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.56 ' HE3' HD11 ' A' ' 42' ' ' LEU . 2.8 tmtm? -64.47 -43.86 92.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.8 tp -71.41 -46.8 59.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.474 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 7.5 pt20 -60.56 -46.67 89.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.474 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 6.3 t70 -61.96 -38.86 90.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.56 HD11 ' HE3' ' A' ' 38' ' ' LYS . 11.9 mt -64.95 -56.1 15.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.731 ' HG3' HD12 ' A' ' 50' ' ' ILE . 71.1 mt-10 -52.24 -18.15 1.42 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.4 mt -93.27 -58.03 2.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -49.73 -43.18 47.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 35.5 p -93.47 -19.78 20.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.194 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 62.84 40.08 10.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.094 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 62.1 p -113.38 177.56 4.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.161 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.98 96.05 5.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.828 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.731 HD12 ' HG3' ' A' ' 43' ' ' GLU . 53.7 mt -87.37 128.48 39.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -122.23 104.16 9.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.952 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 38.4 mt -91.51 127.67 49.71 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.582 0.706 . . . . 0.0 111.181 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.497 ' CG ' ' O ' ' A' ' 59' ' ' SER . 54.0 Cg_endo -69.75 152.71 69.41 Favored 'Trans proline' 0 C--O 1.231 0.128 0 C-N-CA 122.653 2.235 . . . . 0.0 112.369 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -61.16 156.07 51.91 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.699 0.761 . . . . 0.0 110.854 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -4.37 13.88 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.733 2.288 . . . . 0.0 112.318 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.33 -7.08 14.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.814 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.428 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.5 t70 -87.01 140.87 32.86 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.633 0.73 . . . . 0.0 110.81 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.5 Cg_endo -69.76 2.81 3.2 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.708 2.272 . . . . 0.0 112.354 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.497 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 42.1 m -96.67 109.22 21.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 -107.52 12.28 27.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -102.01 121.42 42.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 1.008 HD12 HD11 ' A' ' 23' ' ' ILE . 49.6 mt -74.53 152.13 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.078 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.414 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 59.9 tttt -114.06 130.72 56.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.624 ' HB ' HG23 ' A' ' 71' ' ' ILE . 1.1 pt -125.68 120.12 56.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.3 m -124.34 146.29 48.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.158 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.523 ' H ' HD11 ' A' ' 71' ' ' ILE . . . 153.85 -146.57 14.96 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.546 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 69' ' ' GLU . 76.4 p -82.4 139.93 33.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.829 0.347 . . . . 0.0 111.196 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.418 ' HD2' ' C ' ' A' ' 68' ' ' LYS . 5.0 tmmm? -37.09 -30.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.858 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 67' ' ' THR . 23.0 mt-10 -85.49 -45.89 11.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 67' ' ' THR . . . -56.08 -52.96 45.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.448 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.624 HG23 ' HB ' ' A' ' 64' ' ' ILE . 65.9 mt -60.07 -42.8 91.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.766 0.317 . . . . 0.0 111.135 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -56.29 -48.92 75.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -57.4 -53.32 59.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.65 -36.98 80.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.06 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -66.74 -39.81 88.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 56.1 t60 -68.55 -36.76 79.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -73.69 -50.66 19.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.2 p -61.06 -29.26 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.5 mt -81.18 -38.87 26.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.947 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 80' ' ' LEU . 13.8 mt -65.24 -44.95 86.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 45.6 mt -64.11 -58.39 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.0 m -52.89 -39.1 62.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.11 -50.55 72.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.059 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -57.77 -28.63 64.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.491 ' CB ' ' NE2' ' A' ' 27' ' ' HIS . 50.5 mm-40 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.768 0.318 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.4 p -142.63 128.6 19.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.918 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.46 175.13 6.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.087 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.6 p -138.88 154.09 48.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.21 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.519 ' O ' HG13 ' A' ' 21' ' ' VAL . 4.9 p -129.01 106.87 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.148 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.66 115.15 5.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.035 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.719 HD11 ' CD1' ' A' ' 62' ' ' ILE . 5.5 pt -141.5 156.35 66.83 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.634 0.73 . . . . 0.0 111.133 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.519 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 54.6 Cg_endo -69.78 141.46 45.21 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.611 2.208 . . . . 0.0 112.41 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.402 ' NZ ' ' HG2' ' A' ' 53' ' ' PRO . 5.6 tptt -53.88 -15.1 1.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -78.84 -28.11 44.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.519 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 67.1 m170 -88.52 -19.29 26.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -56.93 -27.1 60.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -85.45 -22.42 28.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -78.85 -13.05 60.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.5 t -96.48 -29.5 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.148 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 16.5 mt -79.15 -33.27 15.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.166 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 34' ' ' LYS . . . 104.4 129.8 6.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.569 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 33' ' ' GLY . 5.6 tmtt? -36.44 -45.36 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.815 0.34 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -98.65 -21.07 16.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 105.79 45.63 1.28 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.47 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -122.02 -16.39 7.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.932 0.396 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.7 tptp -68.61 -29.85 68.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.9 tp -79.63 -48.0 14.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.936 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -63.34 -35.44 80.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -74.32 -31.57 62.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.9 mt -76.26 -52.03 10.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.709 ' HG3' HD12 ' A' ' 50' ' ' ILE . 29.0 mt-10 -51.82 -27.14 11.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 20.5 mt -84.19 -65.77 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -43.6 -33.6 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.409 HG21 ' HB2' ' A' ' 74' ' ' ALA . 18.1 p -100.12 -18.18 17.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.194 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 58.86 37.17 24.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.025 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 63.4 p -112.64 179.1 4.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.179 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -115.05 91.26 3.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.912 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.709 HD12 ' HG3' ' A' ' 43' ' ' GLU . 49.6 mt -80.47 126.92 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.7 tp60 -122.83 112.06 17.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.505 HG23 ' HD2' ' A' ' 53' ' ' PRO . 95.7 mt -101.8 134.35 20.21 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.628 0.728 . . . . 0.0 111.102 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.505 ' HD2' HG23 ' A' ' 52' ' ' ILE . 53.8 Cg_endo -69.79 145.52 57.25 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.651 2.234 . . . . 0.0 112.392 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -49.11 158.84 0.65 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.677 0.751 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -14.61 36.28 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.679 2.253 . . . . 0.0 112.355 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -100.09 -23.32 14.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.421 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 5.5 t70 -69.98 139.88 88.25 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.584 0.707 . . . . 0.0 110.905 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 54.1 Cg_endo -69.82 -0.47 7.02 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.697 2.264 . . . . 0.0 112.314 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.455 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 47.6 m -81.14 120.46 24.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.832 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -120.73 19.34 11.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -110.52 120.5 42.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.719 ' CD1' HD11 ' A' ' 23' ' ' ILE . 43.2 mt -75.05 148.87 7.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -112.71 132.18 55.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.533 ' HB ' HG23 ' A' ' 71' ' ' ILE . 1.1 pt -127.43 116.01 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.173 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.8 m -121.41 140.18 52.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.433 ' H ' HD11 ' A' ' 71' ' ' ILE . . . 158.98 -144.19 10.03 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.434 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 68.2 p -83.07 165.73 19.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.895 0.379 . . . . 0.0 111.111 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -63.74 -25.99 68.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -90.54 -39.44 12.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.73 -53.64 36.74 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.527 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.533 HG23 ' HB ' ' A' ' 64' ' ' ILE . 76.6 mt -56.64 -40.98 72.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 0.0 111.156 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -57.99 -49.48 76.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.8 mttp -54.19 -52.42 61.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.409 ' HB2' HG21 ' A' ' 46' ' ' THR . . . -64.34 -38.33 90.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.4 ttt-85 -64.79 -33.97 77.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.823 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 56.5 t60 -73.44 -39.3 65.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.839 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -71.24 -51.21 25.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.849 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.417 HG11 HG11 ' A' ' 21' ' ' VAL . 5.2 p -56.07 -39.61 59.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.136 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.1 mt -72.88 -42.96 63.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.946 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.3 mt -58.09 -46.15 85.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 36.3 mt -58.47 -56.2 17.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 94.0 p -53.99 -46.1 71.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.813 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.95 -49.28 73.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.065 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -55.49 -32.95 63.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.892 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.503 ' CB ' ' NE2' ' A' ' 27' ' ' HIS . 72.6 mm-40 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.483 ' O ' HD11 ' A' ' 71' ' ' ILE . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.728 0.299 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.2 p -146.67 125.43 12.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.816 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.61 172.81 7.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.074 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.526 HG22 ' O ' ' A' ' 62' ' ' ILE . 0.8 OUTLIER -139.06 154.09 48.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.85 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.475 ' CG1' ' HB ' ' A' ' 62' ' ' ILE . 3.3 p -125.71 109.86 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.087 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.69 113.14 6.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.942 HD11 HD12 ' A' ' 62' ' ' ILE . 3.8 pt -146.61 155.26 48.97 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.584 0.707 . . . . 0.0 111.189 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.504 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 54.2 Cg_endo -69.76 142.57 48.28 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.663 2.242 . . . . 0.0 112.446 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.4 mtmm -56.46 -12.98 1.95 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -79.56 -25.11 41.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.504 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 65.4 m170 -89.64 -19.25 25.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -55.9 -36.86 68.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.806 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -61.71 -34.95 76.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -72.82 -10.13 59.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.6 t -102.84 -27.61 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.078 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.521 HG22 ' HA2' ' A' ' 36' ' ' GLY . 22.5 mt -82.93 -36.4 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.423 ' CA ' ' HB2' ' A' ' 38' ' ' LYS . . . 107.85 168.88 21.61 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.522 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.2 tppt? -41.52 -64.02 0.62 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.759 0.314 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -108.53 -29.77 8.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.966 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.521 ' HA2' HG22 ' A' ' 32' ' ' ILE . . . 149.16 46.41 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.48 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -111.38 -46.36 3.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.883 0.373 . . . . 0.0 110.865 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.423 ' HB2' ' CA ' ' A' ' 33' ' ' GLY . 1.7 tmtp? -41.19 -65.51 0.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.7 tp -48.3 -45.16 34.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.942 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -53.75 -52.25 60.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -57.53 -48.04 80.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.4 mt -53.61 -54.17 41.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -48.69 -36.94 17.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 47' ' ' ALA . 11.9 mt -79.46 -66.99 0.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -40.15 -36.25 0.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.425 HG21 ' HB2' ' A' ' 74' ' ' ALA . 22.2 p -101.32 -17.6 16.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.167 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 44' ' ' LEU . . . 59.05 34.5 23.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 74.5 p -111.46 168.26 9.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.154 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.426 ' HD3' ' N ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -102.02 90.02 3.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 73.3 mt -82.45 128.9 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -123.95 111.43 16.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.7 mt -99.82 129.45 28.61 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.564 0.697 . . . . 0.0 111.189 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 144.87 55.36 Favored 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 122.743 2.295 . . . . 0.0 112.387 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.9 mtp180 -52.81 160.36 1.48 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.601 0.715 . . . . 0.0 110.839 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -22.15 32.24 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.593 2.195 . . . . 0.0 112.35 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.2 p30 -90.47 -30.48 17.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.802 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.433 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.5 t70 -62.37 141.15 96.45 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.628 0.728 . . . . 0.0 110.854 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.433 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.8 Cg_endo -69.75 2.99 3.03 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.629 2.22 . . . . 0.0 112.368 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.5 m -91.45 130.68 37.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 -127.78 3.83 6.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -96.3 122.61 39.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.942 HD12 HD11 ' A' ' 23' ' ' ILE . 55.4 mt -78.16 148.46 6.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.3 tttp -111.64 134.42 53.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.609 HD12 ' CG2' ' A' ' 71' ' ' ILE . 1.1 pt -128.81 116.17 39.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.7 m -117.46 143.42 46.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.509 ' H ' HD11 ' A' ' 71' ' ' ILE . . . 153.98 -152.59 24.17 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.608 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 80.1 p -78.07 144.24 36.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.769 0.319 . . . . 0.0 111.162 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -43.79 -23.49 0.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.927 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -89.96 -45.67 9.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -60.31 -52.03 55.17 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.506 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.609 ' CG2' HD12 ' A' ' 64' ' ' ILE . 83.9 mt -56.41 -48.86 79.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.75 0.31 . . . . 0.0 111.116 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -51.25 -52.08 48.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -48.04 -58.17 4.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.425 ' HB2' HG21 ' A' ' 46' ' ' THR . . . -61.91 -34.27 75.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.086 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.847 ' O ' HD12 ' A' ' 79' ' ' LEU . 23.0 ttp180 -67.65 -33.61 75.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 52.2 t60 -76.24 -36.74 58.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.935 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -72.87 -49.71 28.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.44 HG11 HG11 ' A' ' 21' ' ' VAL . 6.5 p -57.21 -34.2 45.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.847 HD12 ' O ' ' A' ' 75' ' ' ARG . 7.4 mt -74.25 -47.16 36.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.423 ' HA ' HD23 ' A' ' 80' ' ' LEU . 11.8 mt -56.04 -48.73 75.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 17.3 mt -58.31 -56.93 13.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 58.0 p -55.25 -48.25 74.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.86 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -48.36 -51.96 23.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.09 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -58.36 -39.13 78.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.951 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.437 ' HB3' ' NE2' ' A' ' 27' ' ' HIS . 79.1 mm-40 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.445 ' O ' HG23 ' A' ' 65' ' ' THR . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.811 0.339 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.2 p -144.75 128.8 17.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.794 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.98 171.03 8.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.123 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -139.1 159.14 42.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.142 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.472 ' CG1' ' HB ' ' A' ' 62' ' ' ILE . 4.1 p -132.32 120.6 43.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.146 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.93 107.17 10.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.077 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.889 HD11 HD12 ' A' ' 62' ' ' ILE . 3.1 pt -139.29 155.47 72.28 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.672 0.749 . . . . 0.0 111.046 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.539 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.8 Cg_endo -69.8 143.78 51.75 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.717 2.278 . . . . 0.0 112.359 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.434 ' HD2' ' CE1' ' A' ' 28' ' ' HIS . 1.2 mmmp? -58.18 -11.56 2.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -83.26 -22.38 33.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.539 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 62.7 m170 -89.94 -28.1 19.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.814 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.434 ' CE1' ' HD2' ' A' ' 25' ' ' LYS . 31.7 m170 -45.78 -46.75 15.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -52.33 -43.87 64.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -61.45 -13.36 19.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.4 t -102.35 -23.32 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 61.2 mt -85.2 -36.79 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.18 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.471 ' CA ' ' HB2' ' A' ' 38' ' ' LYS . . . 111.18 175.82 20.27 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.501 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.7 ttmm -57.31 -58.39 8.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.878 0.371 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -106.69 -28.37 10.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 142.68 54.37 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.491 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.511 ' O ' ' N ' ' A' ' 40' ' ' GLN . 3.0 mt-10 -122.01 -51.07 2.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.882 0.372 . . . . 0.0 110.886 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.471 ' HB2' ' CA ' ' A' ' 33' ' ' GLY . 2.7 tmtp? -35.33 -39.26 0.12 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.4 tp -75.79 -41.92 51.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.511 ' N ' ' O ' ' A' ' 37' ' ' GLU . 5.5 pt20 -63.88 -36.89 85.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -72.79 -40.59 65.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.817 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.427 HD11 ' HE2' ' A' ' 38' ' ' LYS . 12.4 mt -64.08 -49.4 72.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.444 ' HG3' HD12 ' A' ' 50' ' ' ILE . 47.7 mt-10 -54.33 -29.2 47.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.0 mt -84.12 -64.88 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.9 ttpp -45.61 -42.01 10.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.1 p -91.81 -14.36 29.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 54.37 35.83 23.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.113 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 66.0 p -111.89 170.94 7.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.112 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.05 87.76 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.444 HD12 ' HG3' ' A' ' 43' ' ' GLU . 73.4 mt -78.9 130.34 36.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.167 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -130.64 107.63 9.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.469 HG23 ' HD2' ' A' ' 53' ' ' PRO . 37.9 mt -95.1 134.49 24.58 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.62 0.724 . . . . 0.0 111.151 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.469 ' HD2' HG23 ' A' ' 52' ' ' ILE . 53.6 Cg_endo -69.83 143.88 51.92 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.704 2.269 . . . . 0.0 112.27 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 47.6 mtt180 -53.06 159.5 1.91 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.695 0.759 . . . . 0.0 110.771 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 -14.89 36.74 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.692 2.261 . . . . 0.0 112.389 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -97.47 -27.26 14.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.431 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.6 t70 -67.1 141.05 96.15 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.574 0.702 . . . . 0.0 110.925 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.431 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 54.1 Cg_endo -69.77 -4.06 13.27 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.657 2.238 . . . . 0.0 112.358 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.7 m -85.96 125.72 33.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 -121.82 11.83 10.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -100.43 123.75 45.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.889 HD12 HD11 ' A' ' 23' ' ' ILE . 49.6 mt -76.73 148.85 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.064 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -109.61 136.62 48.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.563 ' HB ' HG23 ' A' ' 71' ' ' ILE . 1.1 pt -133.96 120.94 37.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.147 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 17' ' ' ALA . 21.2 m -127.57 142.64 51.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.139 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 155.67 -146.54 14.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.422 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 70' ' ' GLY . 75.8 p -81.54 143.75 31.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.893 0.377 . . . . 0.0 111.128 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 tmmm? -38.46 -35.58 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -80.06 -43.63 21.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 67' ' ' THR . . . -55.85 -60.83 8.2 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.439 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.563 HG23 ' HB ' ' A' ' 64' ' ' ILE . 76.4 mt -52.69 -46.48 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.825 0.345 . . . . 0.0 111.194 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -52.61 -54.99 25.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.9 mttp -47.64 -59.07 3.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.57 -35.6 74.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.132 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.8 ttt180 -68.75 -32.51 72.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.833 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 56.8 t60 -75.58 -33.55 60.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -76.36 -44.84 34.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.421 HG13 ' N ' ' A' ' 79' ' ' LEU . 7.3 p -64.07 -40.72 90.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.14 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.421 ' N ' HG13 ' A' ' 78' ' ' VAL . 13.5 mt -71.11 -41.67 70.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.2 mt -59.16 -48.38 81.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 21.6 mt -59.85 -59.53 3.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.118 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.6 t -48.34 -56.02 9.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -45.62 -54.73 7.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.107 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -49.31 -43.88 43.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.439 ' CB ' ' NE2' ' A' ' 27' ' ' HIS . 58.5 mm-40 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.74 0.305 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.3 p -148.26 120.18 8.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.858 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -115.87 175.01 5.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.062 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 p -139.09 153.84 48.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.149 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.5 ' O ' HG13 ' A' ' 21' ' ' VAL . 5.0 p -128.31 109.83 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.59 113.76 6.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.134 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.835 HD11 HD12 ' A' ' 62' ' ' ILE . 2.8 pt -141.19 155.03 68.32 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.703 0.763 . . . . 0.0 111.066 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.538 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.8 Cg_endo -69.7 147.84 64.13 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.68 2.253 . . . . 0.0 112.396 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.486 ' NZ ' ' ND1' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -61.54 -9.15 5.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -90.85 -12.79 35.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.538 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 54.4 m170 -103.49 -18.79 14.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.828 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.486 ' ND1' ' NZ ' ' A' ' 25' ' ' LYS . 10.2 m170 -54.28 -46.22 72.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -57.44 -43.37 83.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -56.26 -13.6 2.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 40.2 t -97.73 -33.31 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.401 ' C ' ' HB3' ' A' ' 38' ' ' LYS . 56.9 mt -74.46 -39.28 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 114.95 168.6 15.77 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.466 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.9 mmmt -59.12 -49.0 79.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.732 0.301 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -111.51 -20.2 12.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 124.06 47.87 0.23 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -121.37 -22.79 5.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.876 0.369 . . . . 0.0 110.835 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.401 ' HB3' ' C ' ' A' ' 32' ' ' ILE . 39.9 tptt -63.44 -31.67 72.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.1 tp -81.84 -44.23 17.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -63.8 -36.11 82.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -73.91 -36.65 64.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.2 mt -68.48 -53.08 25.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.405 ' HG3' HD12 ' A' ' 50' ' ' ILE . 23.6 mt-10 -51.23 -32.4 23.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 44' ' ' LEU . 16.6 mt -80.33 -62.66 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -46.69 -31.93 3.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.6 p -102.46 -20.75 14.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.232 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 61.52 38.3 15.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 71.0 p -114.68 175.61 5.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.2 tppt? -110.99 87.91 2.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.405 HD12 ' HG3' ' A' ' 43' ' ' GLU . 71.4 mt -77.43 136.19 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.132 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -129.43 114.57 16.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.6 mt -105.32 123.69 38.8 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.598 0.714 . . . . 0.0 111.167 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.496 ' CG ' ' O ' ' A' ' 59' ' ' SER . 53.9 Cg_endo -69.7 142.04 47.1 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.706 2.271 . . . . 0.0 112.381 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 64.4 mtm180 -49.87 158.04 0.96 Allowed Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.631 0.729 . . . . 0.0 110.844 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -14.68 36.38 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.695 2.263 . . . . 0.0 112.296 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -94.52 -25.63 16.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.864 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.429 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 4.9 t70 -69.96 140.57 88.72 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.563 0.697 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.429 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.9 Cg_endo -69.77 2.3 3.66 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.726 2.284 . . . . 0.0 112.374 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.496 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 10.1 m -94.09 114.42 26.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -114.03 20.46 15.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -110.08 120.91 43.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.835 HD12 HD11 ' A' ' 23' ' ' ILE . 53.3 mt -75.02 152.38 6.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.077 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.422 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 35.5 tttt -114.89 132.1 56.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.559 HD12 ' CG2' ' A' ' 71' ' ' ILE . 1.1 pt -127.33 116.72 44.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 47.7 m -120.66 146.51 46.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 152.72 -147.53 17.28 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.463 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 67.6 p -82.23 150.53 27.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.857 0.361 . . . . 0.0 111.165 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? -46.77 -31.51 3.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -83.79 -45.35 13.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -55.68 -59.79 9.95 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.496 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.559 ' CG2' HD12 ' A' ' 64' ' ' ILE . 73.3 mt -52.02 -45.11 40.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 0.0 111.153 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -53.99 -47.83 71.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -58.15 -49.21 77.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.828 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.02 -36.58 84.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.111 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -70.58 -38.82 74.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 53.9 t60 -67.82 -27.11 66.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -83.33 -46.63 12.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.469 HG11 HG11 ' A' ' 21' ' ' VAL . 2.0 p -65.11 -39.93 87.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.433 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 17.3 mt -69.73 -36.6 76.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.05 -49.51 69.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 24.9 mt -60.49 -57.97 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 85.2 p -50.6 -46.17 57.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.62 -51.51 69.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -48.85 -44.25 39.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.886 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.7 ' O ' HD11 ' A' ' 71' ' ' ILE . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.85 0.357 . . . . 0.0 111.056 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.0 p -139.12 125.62 20.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.792 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.65 -178.85 4.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.106 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 p -139.17 155.64 47.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.573 ' O ' HG13 ' A' ' 21' ' ' VAL . 5.6 p -130.01 94.08 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.093 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.29 112.14 1.03 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.554 HD11 ' CD1' ' A' ' 62' ' ' ILE . 10.9 pt -138.19 155.38 74.28 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.601 0.715 . . . . 0.0 111.123 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.549 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.7 Cg_endo -69.81 150.58 68.11 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.644 2.229 . . . . 0.0 112.39 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -60.86 -9.25 3.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.987 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -90.46 -11.73 39.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.58 ' CD2' ' HG3' ' A' ' 85' ' ' GLN . 62.7 m170 -103.53 -13.43 16.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.779 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -63.74 -37.4 87.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -70.88 -38.37 73.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -61.91 -30.22 70.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.448 HG21 HG23 ' A' ' 78' ' ' VAL . 92.1 t -80.83 -35.87 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.431 ' C ' ' HB3' ' A' ' 38' ' ' LYS . 90.3 mt -72.34 -42.09 65.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.51 148.57 7.9 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.491 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -41.53 -47.39 3.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.789 0.328 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -111.65 -30.84 7.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.401 ' HA2' HG22 ' A' ' 32' ' ' ILE . . . 131.41 47.39 0.12 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.492 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -123.89 -19.89 5.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.939 0.399 . . . . 0.0 110.887 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.431 ' HB3' ' C ' ' A' ' 32' ' ' ILE . 17.6 tptm -62.37 -54.39 41.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.4 tp -51.66 -45.4 63.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -52.06 -59.37 4.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -53.7 -45.87 70.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.6 mt -56.61 -53.73 54.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.835 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 47' ' ' ALA . 20.6 mt-10 -49.1 -41.18 34.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.814 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 47' ' ' ALA . 39.2 mt -74.96 -66.53 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.7 ttpp -40.1 -42.91 1.52 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.412 HG21 ' HB2' ' A' ' 74' ' ' ALA . 24.1 p -92.51 -19.68 21.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 44' ' ' LEU . . . 60.19 34.94 21.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.043 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 76.5 p -111.71 176.45 5.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.117 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.9 mmmt -112.54 85.88 2.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 77.2 mt -74.92 129.35 36.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.064 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -125.56 117.41 23.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 59.3 mt -109.17 130.5 22.66 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.665 0.745 . . . . 0.0 111.097 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.467 ' CB ' ' HB3' ' A' ' 59' ' ' SER . 53.7 Cg_endo -69.8 140.83 43.48 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.716 2.277 . . . . 0.0 112.321 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 53' ' ' PRO . 4.8 mpt_? -36.83 155.66 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.634 0.73 . . . . 0.0 110.846 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -14.32 35.72 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.651 2.234 . . . . 0.0 112.319 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.28 -26.43 15.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.435 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 9.5 t70 -66.21 139.81 96.59 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.574 0.702 . . . . 0.0 110.927 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.435 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.7 Cg_endo -69.76 3.25 2.88 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.723 2.282 . . . . 0.0 112.366 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.467 ' HB3' ' CB ' ' A' ' 53' ' ' PRO . 12.2 t -83.02 124.15 30.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -123.2 18.17 9.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -108.63 117.23 33.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.554 ' CD1' HD11 ' A' ' 23' ' ' ILE . 30.0 mt -75.95 149.19 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -111.77 132.9 54.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.929 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.538 HD12 HG23 ' A' ' 71' ' ' ILE . 1.1 pt -127.08 122.76 60.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 38.0 m -128.62 139.2 52.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.19 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.477 ' H ' HD11 ' A' ' 71' ' ' ILE . . . 157.0 -152.03 23.38 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.493 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 70' ' ' GLY . 69.7 p -80.57 145.81 31.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.847 0.356 . . . . 0.0 111.171 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -38.78 -37.34 0.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -75.23 -44.24 47.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 67' ' ' THR . . . -59.79 -58.96 11.52 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.4 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.7 HD11 ' O ' ' A' ' 17' ' ' ALA . 73.6 mt -55.86 -44.85 79.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 0.0 111.178 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -56.67 -50.09 73.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -55.21 -52.95 61.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.412 ' HB2' HG21 ' A' ' 46' ' ' THR . . . -63.24 -36.9 85.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.091 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.42 ' HA ' HG12 ' A' ' 78' ' ' VAL . 34.8 ttt180 -69.6 -34.29 73.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -74.95 -26.87 59.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -85.62 -46.7 10.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.526 HG13 HG21 ' A' ' 21' ' ' VAL . 9.9 p -62.7 -28.91 45.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 15.0 mt -81.86 -38.5 25.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.6 mt -63.55 -43.18 97.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 27.3 mt -66.66 -52.23 47.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 46.4 p -57.41 -46.45 83.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.03 -56.11 25.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.073 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -43.93 -45.26 7.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.58 ' HG3' ' CD2' ' A' ' 27' ' ' HIS . 55.2 mm-40 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.748 0.308 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m -152.33 137.7 17.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.27 177.06 6.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.136 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -139.18 159.14 42.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.198 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.555 ' O ' HG13 ' A' ' 21' ' ' VAL . 5.7 p -134.53 101.37 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.159 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.25 111.44 2.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.603 HD11 HD12 ' A' ' 62' ' ' ILE . 9.1 pt -140.28 155.55 70.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.705 0.764 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.532 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 54.5 Cg_endo -69.7 145.88 58.84 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.678 2.252 . . . . 0.0 112.367 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.19 -11.41 2.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.919 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -83.14 -21.69 33.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.532 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 66.2 m170 -95.3 -19.61 19.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -56.59 -46.18 80.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -58.96 -35.78 73.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -68.0 -29.18 68.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 66.5 t -78.22 -35.41 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.116 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.417 HG12 ' CD1' ' A' ' 52' ' ' ILE . 73.3 mt -72.55 -44.96 60.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 119.81 147.66 8.03 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.463 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.4 tptt -46.97 -55.08 8.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.359 . . . . 0.0 110.857 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -110.27 11.65 23.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.38 54.39 3.0 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.464 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -129.7 -5.19 4.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.902 0.382 . . . . 0.0 110.916 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.7 tptt -85.53 -43.02 13.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.2 tp -67.54 -49.23 64.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -55.88 -39.94 72.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.985 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -70.04 -45.31 67.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.7 mt -58.82 -52.06 67.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 47' ' ' ALA . 22.3 mt-10 -49.86 -38.22 34.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 25.5 mt -76.64 -64.62 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -44.54 -36.22 2.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.483 HG21 ' HB2' ' A' ' 74' ' ' ALA . 19.6 p -99.01 -16.29 18.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.125 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . 56.85 34.48 24.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.055 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 74.8 p -110.06 174.84 5.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.14 86.11 2.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 78.9 mt -78.71 126.17 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.195 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -123.61 120.16 31.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.417 ' CD1' HG12 ' A' ' 32' ' ' ILE . 56.5 mt -111.17 126.78 28.0 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.591 0.71 . . . . 0.0 111.21 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 143.83 51.96 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.692 2.261 . . . . 0.0 112.335 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -43.64 156.72 0.28 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.528 0.68 . . . . 0.0 110.932 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -8.42 23.57 Favored 'Trans proline' 0 N--CA 1.464 -0.22 0 C-N-CA 122.71 2.273 . . . . 0.0 112.402 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -101.49 -22.43 14.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.424 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.7 t70 -70.58 141.03 87.38 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.579 0.704 . . . . 0.0 110.842 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.5 Cg_endo -69.76 3.04 3.0 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.649 2.233 . . . . 0.0 112.358 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 t -88.43 115.82 26.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -115.84 18.16 15.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -110.85 120.53 42.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.603 HD12 HD11 ' A' ' 23' ' ' ILE . 51.0 mt -77.97 147.9 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.096 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.9 tttp -110.8 130.64 55.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.594 HD12 ' CG2' ' A' ' 71' ' ' ILE . 1.1 pt -124.09 123.32 66.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.2 m -127.25 146.63 50.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 150.05 -150.47 22.53 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.465 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.3 p -77.89 146.31 35.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.878 0.371 . . . . 0.0 111.131 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -40.06 -39.89 0.96 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.4 mp0 -76.57 -43.06 40.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -56.29 -58.19 15.5 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.483 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.594 ' CG2' HD12 ' A' ' 64' ' ' ILE . 80.8 mt -55.09 -52.14 47.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.831 0.348 . . . . 0.0 111.143 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.475 ' CA ' ' OE1' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -50.76 -51.51 49.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.1 mttm -51.87 -54.42 29.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.483 ' HB2' HG21 ' A' ' 46' ' ' THR . . . -63.01 -33.39 75.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.147 179.733 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.568 ' HG3' HD11 ' A' ' 64' ' ' ILE . 11.1 ttt180 -71.54 -34.15 69.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -74.56 -29.8 61.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -82.66 -45.13 14.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.802 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.4 p -64.1 -27.97 43.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.412 HD12 ' O ' ' A' ' 75' ' ' ARG . 13.1 mt -83.52 -42.53 16.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.935 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.5 mt -57.6 -40.03 78.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.6 mt -69.46 -48.41 66.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.2 p -61.51 -42.7 99.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.71 -56.34 20.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.156 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -45.84 -46.7 15.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.526 ' HG3' ' CD2' ' A' ' 27' ' ' HIS . 60.4 mm-40 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.551 ' O ' HD11 ' A' ' 71' ' ' ILE . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.814 0.34 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.1 p -143.65 125.85 15.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -118.35 176.17 5.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.113 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 62' ' ' ILE . 0.8 OUTLIER -139.4 154.69 47.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 -179.897 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.51 ' O ' HG13 ' A' ' 21' ' ' VAL . 4.2 p -128.1 107.51 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.126 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.53 111.92 3.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.847 HD11 HD12 ' A' ' 62' ' ' ILE . 2.8 pt -141.08 156.22 68.22 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 121.591 0.71 . . . . 0.0 111.203 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.543 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 54.0 Cg_endo -69.72 150.92 69.07 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.72 2.28 . . . . 0.0 112.329 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.0 mtmm -67.45 -2.18 5.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -95.21 -21.87 18.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.543 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 58.4 m170 -89.1 -29.37 19.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.809 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -40.65 -47.23 2.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -52.52 -47.05 66.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.422 ' CE1' ' NE2' ' A' ' 85' ' ' GLN . 47.2 m-85 -57.6 -25.09 59.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 41.7 t -83.48 -37.64 13.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 53.0 mt -71.83 -38.88 66.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.216 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.53 177.04 17.46 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.464 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -67.42 -60.56 2.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.792 0.33 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -109.7 11.23 24.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 93.81 53.22 1.82 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -126.37 -29.85 2.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.901 0.381 . . . . 0.0 110.914 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -55.83 -66.71 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.9 tp -48.79 -44.63 39.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -52.27 -56.37 15.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.944 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -59.41 -39.8 84.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.6 mt -60.18 -54.58 44.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.949 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 47' ' ' ALA . 21.4 mt-10 -50.8 -40.18 54.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 28.4 mt -74.23 -65.74 0.81 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -43.63 -40.01 3.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 38.8 p -94.5 -18.99 20.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.207 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . 57.84 33.05 22.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.094 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 81.4 p -109.1 176.16 5.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.081 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.3 mmmt -110.16 89.17 2.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 60.4 mt -84.34 122.11 37.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.134 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -117.54 121.75 41.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 47.3 mt -111.8 123.89 33.63 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.582 0.706 . . . . 0.0 111.161 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 145.7 58.36 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.646 2.231 . . . . 0.0 112.416 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.1 mtp85 -50.28 161.45 0.6 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.646 0.736 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -22.71 31.57 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.671 2.248 . . . . 0.0 112.304 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -89.34 -27.27 20.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.924 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.436 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.4 t70 -62.75 141.43 97.17 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.625 0.726 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.436 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 52.8 Cg_endo -69.81 3.34 2.85 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.656 2.237 . . . . 0.0 112.274 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.8 m -95.76 127.99 42.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.86 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 23' ' ' ILE . 16.2 p-10 -126.41 9.75 7.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.879 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -103.45 122.65 45.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.847 HD12 HD11 ' A' ' 23' ' ' ILE . 45.5 mt -80.2 148.44 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.18 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 46.0 tttt -110.57 133.43 53.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.624 ' HB ' HG23 ' A' ' 71' ' ' ILE . 1.1 pt -127.73 116.7 44.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 39.6 m -123.65 144.42 49.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.445 ' H ' HD11 ' A' ' 71' ' ' ILE . . . 156.25 -145.05 11.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 70' ' ' GLY . 75.9 p -82.45 141.62 32.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.837 0.351 . . . . 0.0 111.161 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.3 tttm -38.06 -34.15 0.11 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -84.5 -41.69 16.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 67' ' ' THR . . . -57.69 -54.37 37.82 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.525 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.624 HG23 ' HB ' ' A' ' 64' ' ' ILE . 72.8 mt -57.44 -52.11 61.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.349 . . . . 0.0 111.151 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -47.96 -52.26 20.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt -50.66 -56.28 12.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.1 -36.68 77.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.09 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.7 ttt180 -67.44 -34.2 76.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 57.6 t60 -74.21 -30.74 62.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -79.13 -45.59 19.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.462 HG11 HG11 ' A' ' 21' ' ' VAL . 3.7 p -63.22 -38.13 81.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.5 mt -71.76 -41.72 68.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.7 mt -58.14 -51.63 68.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 19.8 mt -61.67 -56.27 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 58.9 p -51.34 -46.14 62.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.821 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.12 -54.3 48.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -48.95 -45.4 41.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.422 ' NE2' ' CE1' ' A' ' 30' ' ' PHE . 56.1 mm-40 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.444 ' O ' HD11 ' A' ' 71' ' ' ILE . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.809 0.338 . . . . 0.0 111.069 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 p -144.94 117.75 8.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.08 169.51 8.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.142 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 p -139.1 153.02 47.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.154 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.462 ' O ' HG13 ' A' ' 21' ' ' VAL . 4.4 p -130.05 113.77 27.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.32 115.01 11.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.862 HD11 HD12 ' A' ' 62' ' ' ILE . 3.8 pt -142.47 157.01 63.44 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.617 0.722 . . . . 0.0 111.155 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.541 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.9 Cg_endo -69.66 144.07 53.41 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.731 2.287 . . . . 0.0 112.352 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.1 tptp -54.13 -14.89 1.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.855 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -78.8 -28.09 44.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.541 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 64.9 m170 -89.58 -13.56 36.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.412 ' ND1' HG23 ' A' ' 52' ' ' ILE . 5.8 m-70 -66.27 -36.05 81.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -73.45 -26.04 60.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -75.39 -21.23 58.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 27' ' ' HIS . 95.8 t -85.54 -35.86 10.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.17 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.412 ' C ' ' HB3' ' A' ' 38' ' ' LYS . 66.1 mt -69.42 -37.76 75.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 113.43 160.05 13.81 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.44 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -58.15 -56.12 26.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.827 0.346 . . . . 0.0 110.957 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -97.24 -8.51 29.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 106.07 46.95 1.12 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.511 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 40' ' ' GLN . 1.9 mm-40 -120.71 -44.18 2.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.852 0.358 . . . . 0.0 110.903 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 37' ' ' GLU . 18.1 tptp -35.96 -33.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 37' ' ' GLU . 9.1 tp -85.28 -40.77 16.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.967 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 37' ' ' GLU . 3.9 pt20 -63.24 -32.97 74.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -79.75 -32.06 41.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.507 HD23 ' NZ ' ' A' ' 45' ' ' LYS . 9.8 mt -71.02 -56.23 6.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -49.35 -28.15 4.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.4 mt -86.36 -64.81 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.507 ' NZ ' HD23 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -45.52 -42.87 11.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.807 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 19.7 p -90.16 -21.64 22.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 63.01 39.63 9.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.164 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 71.5 p -117.34 177.23 4.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -115.07 87.73 2.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 32.4 mt -78.99 126.97 39.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -122.16 113.14 19.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.635 HG23 ' HD2' ' A' ' 53' ' ' PRO . 59.5 mt -97.45 138.29 21.13 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.62 0.724 . . . . 0.0 111.152 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.635 ' HD2' HG23 ' A' ' 52' ' ' ILE . 53.9 Cg_endo -69.76 152.6 69.35 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.643 2.229 . . . . 0.0 112.36 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -63.52 155.62 74.72 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.593 0.711 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.62 -6.91 19.66 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.753 2.302 . . . . 0.0 112.401 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.65 -12.19 14.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.414 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 2.2 t70 -86.13 140.4 34.69 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.606 0.717 . . . . 0.0 110.855 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.414 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 52.7 Cg_endo -69.83 3.11 3.0 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.728 2.285 . . . . 0.0 112.247 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.496 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 6.0 m -91.84 119.37 31.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -120.79 27.61 8.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -112.92 119.56 38.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.947 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.862 HD12 HD11 ' A' ' 23' ' ' ILE . 52.3 mt -74.24 147.69 8.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.03 128.31 56.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.787 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.68 ' HB ' HG23 ' A' ' 71' ' ' ILE . 1.0 OUTLIER -119.07 115.32 47.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.119 179.835 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.7 m -114.09 142.0 46.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.179 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.448 ' H ' HD11 ' A' ' 71' ' ' ILE . . . 153.92 -154.33 25.44 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.526 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 55.5 p -80.08 145.16 32.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.864 0.364 . . . . 0.0 111.154 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.0 tptt -40.53 -36.98 0.64 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -76.91 -45.68 27.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -59.6 -59.61 10.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.562 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.68 HG23 ' HB ' ' A' ' 64' ' ' ILE . 71.9 mt -50.58 -40.54 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.808 0.337 . . . . 0.0 111.121 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -58.08 -51.06 71.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -51.59 -51.02 58.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.55 -36.78 83.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.052 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.451 ' O ' HD12 ' A' ' 79' ' ' LEU . 28.0 ttt180 -65.24 -32.21 73.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -76.36 -45.25 32.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -63.85 -45.09 91.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.3 p -65.68 -36.32 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.171 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.454 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 9.1 mt -74.33 -36.06 63.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.93 -47.83 73.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 50.3 mt -63.17 -57.15 13.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.183 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.5 m -58.33 -34.69 70.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.807 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 79' ' ' LEU . . . -64.76 -46.3 82.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.064 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -54.11 -43.17 70.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.423 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 36.6 mm-40 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.404 ' O ' HG23 ' A' ' 65' ' ' THR . . . . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.842 0.353 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 p -146.72 121.66 10.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.839 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -118.32 172.9 7.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.078 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.1 p -139.06 155.57 47.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.481 HG13 ' HB ' ' A' ' 62' ' ' ILE . 2.6 p -131.29 105.25 10.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.091 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.441 ' HB2' ' OE1' ' A' ' 61' ' ' GLN . . . -65.79 116.76 7.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.698 HD11 HD12 ' A' ' 62' ' ' ILE . 5.9 pt -144.93 156.01 55.43 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.643 0.735 . . . . 0.0 111.065 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.552 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 54.1 Cg_endo -69.76 150.11 67.78 Favored 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.74 2.294 . . . . 0.0 112.379 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.407 ' HE2' ' CE1' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -61.66 -9.96 7.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.915 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.453 ' CG ' ' HB2' ' A' ' 24' ' ' PRO . 0.9 OUTLIER -88.97 -12.48 41.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.575 ' CE1' ' HB2' ' A' ' 85' ' ' GLN . 62.8 m170 -104.42 -13.15 16.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.407 ' CE1' ' HE2' ' A' ' 25' ' ' LYS . 14.9 m170 -62.45 -46.94 86.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.862 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.447 ' HG3' ' N ' ' A' ' 30' ' ' PHE . 7.7 ptp180 -58.39 -39.07 78.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.447 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 15.0 m-85 -60.18 -28.17 67.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.4 HG21 HG23 ' A' ' 78' ' ' VAL . 87.4 t -85.3 -27.74 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.062 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.457 HG12 ' CD1' ' A' ' 52' ' ' ILE . 97.6 mt -79.49 -47.29 22.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 34' ' ' LYS . . . 122.96 140.25 5.66 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 33' ' ' GLY . 12.2 ptmt -35.38 -47.33 0.42 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.787 0.327 . . . . 0.0 110.895 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -111.23 -31.45 7.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.44 42.14 0.2 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.547 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -111.59 -37.94 5.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.947 0.403 . . . . 0.0 110.885 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.413 ' HE3' HD11 ' A' ' 42' ' ' LEU . 49.7 tptt -47.77 -66.87 0.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 tp -40.89 -46.21 2.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.879 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -54.91 -59.57 4.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -51.5 -40.27 59.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.422 ' O ' HG23 ' A' ' 46' ' ' THR . 12.8 mt -64.91 -52.9 53.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 47' ' ' ALA . 24.7 mt-10 -50.46 -37.04 36.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.8 mt -78.94 -61.93 1.86 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -48.8 -30.88 6.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.427 HG21 ' HB2' ' A' ' 74' ' ' ALA . 10.4 p -104.35 -15.65 15.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . 54.57 33.92 20.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 71.6 p -110.53 172.71 6.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.12 82.04 1.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.932 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 67.2 mt -71.74 126.36 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.7 tp60 -124.59 115.22 20.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.474 HG23 ' HD2' ' A' ' 53' ' ' PRO . 33.2 mt -102.75 134.4 19.89 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.598 0.714 . . . . 0.0 111.172 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.474 ' HD2' HG23 ' A' ' 52' ' ' ILE . 55.2 Cg_endo -69.68 145.52 57.88 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.705 2.27 . . . . 0.0 112.404 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 48.1 mtt-85 -51.8 157.92 1.82 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.547 0.689 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -13.69 34.99 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.642 2.228 . . . . 0.0 112.313 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.58 -24.0 14.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.434 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 4.3 t70 -64.85 141.29 98.31 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.57 0.7 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.434 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.8 Cg_endo -69.79 -1.15 8.01 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.687 2.258 . . . . 0.0 112.312 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.3 m -96.46 124.03 40.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -120.86 24.76 10.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.441 ' OE1' ' HB2' ' A' ' 22' ' ' ALA . 33.0 mt-30 -109.29 124.91 51.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.698 HD12 HD11 ' A' ' 23' ' ' ILE . 53.5 mt -77.71 148.37 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.195 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -112.29 133.86 54.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.585 ' HB ' HG23 ' A' ' 71' ' ' ILE . 1.1 pt -128.55 119.21 49.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 17' ' ' ALA . 30.6 m -127.9 143.43 51.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.475 ' H ' HD11 ' A' ' 71' ' ' ILE . . . 158.0 -136.26 4.72 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.507 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 37.4 p -86.89 170.55 11.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.847 0.356 . . . . 0.0 111.181 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp -69.25 -25.5 64.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -93.76 -35.9 12.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.5 -52.87 35.79 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.503 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.585 HG23 ' HB ' ' A' ' 64' ' ' ILE . 72.3 mt -58.02 -47.26 87.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 0.0 111.177 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -53.19 -45.53 68.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -58.31 -52.64 64.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.427 ' HB2' HG21 ' A' ' 46' ' ' THR . . . -63.62 -34.73 78.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.412 ' HA ' HG12 ' A' ' 78' ' ' VAL . 22.4 ttp85 -69.95 -35.59 74.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 56.3 t60 -73.69 -33.61 64.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -77.66 -44.62 27.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.412 HG12 ' HA ' ' A' ' 75' ' ' ARG . 9.4 p -65.5 -31.25 53.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.7 mt -79.97 -40.56 27.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.3 mt -60.98 -41.58 96.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 24.6 mt -66.94 -51.82 50.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 63.4 p -57.45 -45.14 85.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.65 -52.02 63.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -48.27 -46.49 35.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.575 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 73.0 mm-40 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.8 0.333 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.1 p -146.26 132.39 19.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.905 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.07 172.4 11.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.483 HG22 ' O ' ' A' ' 62' ' ' ILE . 1.2 p -139.18 155.47 47.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.467 ' O ' HG13 ' A' ' 21' ' ' VAL . 3.6 p -128.62 110.38 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.53 112.27 4.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.841 HD11 HD12 ' A' ' 62' ' ' ILE . 3.5 pt -140.37 156.54 69.65 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.64 0.733 . . . . 0.0 111.109 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.536 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 54.0 Cg_endo -69.74 149.9 67.62 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.685 2.257 . . . . 0.0 112.375 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -65.0 -6.01 7.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.473 ' CG ' ' HB2' ' A' ' 24' ' ' PRO . 1.3 pt-20 -92.53 -16.81 25.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.567 ' CE1' ' HB2' ' A' ' 85' ' ' GLN . 63.1 m170 -100.28 -14.36 18.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 5.8 m170 -58.36 -51.92 67.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -48.64 -47.09 40.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -53.71 -26.27 22.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.6 t -80.94 -37.6 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.153 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -68.59 -43.66 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.05 172.81 14.56 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.475 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -59.01 -63.36 1.33 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.753 0.311 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -110.78 11.27 22.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 94.14 49.46 2.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.478 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -122.74 -25.69 4.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.933 0.397 . . . . 0.0 110.896 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.411 ' NZ ' HD11 ' A' ' 81' ' ' ILE . 23.7 tptm -62.28 -66.69 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.6 tp -42.95 -48.11 5.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -52.17 -56.72 12.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -54.77 -47.22 74.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.407 ' CD1' ' HE2' ' A' ' 38' ' ' LYS . 12.3 mt -56.58 -52.27 65.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -50.25 -40.08 46.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 47' ' ' ALA . 30.6 mt -76.9 -67.01 0.75 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -42.51 -40.01 2.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.8 p -94.06 -16.48 23.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 44' ' ' LEU . . . 54.91 42.28 31.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 75.7 p -118.04 175.58 5.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.07 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -110.76 87.73 2.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 68.3 mt -82.37 115.15 24.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.144 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -112.81 113.03 24.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.576 HG23 ' HD2' ' A' ' 53' ' ' PRO . 82.6 mt -100.84 136.22 19.86 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.629 0.728 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.576 ' HD2' HG23 ' A' ' 52' ' ' ILE . 53.7 Cg_endo -69.76 158.9 55.37 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.327 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -64.55 158.44 67.18 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.626 0.727 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -4.94 15.01 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.678 2.252 . . . . 0.0 112.375 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -117.67 -10.11 10.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.421 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.6 t70 -76.02 140.84 70.48 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.608 0.718 . . . . 0.0 110.855 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.2 Cg_endo -69.78 1.04 4.81 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.647 2.231 . . . . 0.0 112.319 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.2 m -93.38 122.14 35.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 -119.12 17.34 13.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -107.78 120.24 41.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.841 HD12 HD11 ' A' ' 23' ' ' ILE . 42.2 mt -76.25 151.41 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.08 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.414 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 1.8 ttmp? -113.29 136.63 52.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.481 ' HB ' HG23 ' A' ' 71' ' ' ILE . 1.1 pt -131.66 122.18 49.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.084 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.1 m -127.47 144.74 51.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.129 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 151.78 -154.69 25.71 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.446 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 70' ' ' GLY . 1.0 OUTLIER -76.5 143.36 40.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.829 0.347 . . . . 0.0 111.203 -179.871 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -41.58 -31.4 0.27 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -80.79 -38.67 28.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 67' ' ' THR . . . -67.09 -53.59 25.53 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.483 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.481 HG23 ' HB ' ' A' ' 64' ' ' ILE . 69.4 mt -57.23 -41.36 77.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.797 0.332 . . . . 0.0 111.074 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -57.02 -50.24 73.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -53.81 -57.15 11.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.25 -37.05 76.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.0 ttt-85 -67.33 -38.43 84.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 22.6 t60 -71.66 -31.89 67.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.798 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -78.3 -49.13 14.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.436 HG11 HG11 ' A' ' 21' ' ' VAL . 5.3 p -60.46 -35.17 61.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.5 mt -75.57 -40.03 57.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.8 mt -63.4 -40.69 97.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.97 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.411 HD11 ' NZ ' ' A' ' 38' ' ' LYS . 54.7 mt -66.5 -55.5 18.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 90.2 p -54.64 -44.7 73.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.18 -55.73 30.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.079 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -42.96 -47.27 5.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.567 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 70.9 mm-40 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.94 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.2 t -126.17 -46.25 1.66 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.875 0.369 . . . . 0.0 110.826 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.6 p -139.77 174.71 10.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.855 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.35 -140.21 11.57 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.4 p 39.07 43.8 0.85 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.806 0.336 . . . . 0.0 110.784 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.2 m -57.7 -51.16 70.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.84 168.93 3.43 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.519 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -148.15 109.54 4.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.828 0.347 . . . . 0.0 110.846 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 10' ' ' VAL . 34.2 mm -95.16 124.53 47.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.164 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.423 ' C ' ' O ' ' A' ' 9' ' ' ILE . 1.9 p -35.91 114.26 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -159.8 130.4 5.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.077 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 61.5 mtm180 -69.05 160.89 30.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -123.41 46.65 2.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -106.41 36.88 2.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 57.9 p -147.54 176.72 9.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 -127.17 137.75 53.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.943 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -120.97 168.57 11.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.099 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 m -146.52 130.37 17.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.16 175.84 5.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.163 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.556 HG22 ' O ' ' A' ' 62' ' ' ILE . 0.8 OUTLIER -139.13 159.48 42.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.159 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.497 ' O ' HG13 ' A' ' 21' ' ' VAL . 4.3 p -133.08 109.52 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.99 109.74 5.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.163 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.812 HD11 HD12 ' A' ' 62' ' ' ILE . 2.7 pt -141.36 157.14 66.72 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.68 0.753 . . . . 0.0 111.091 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.505 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 54.2 Cg_endo -69.69 141.32 45.18 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.705 2.27 . . . . 0.0 112.37 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.4 mtmm -57.01 -12.05 1.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -81.53 -22.24 38.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.505 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 66.1 m170 -93.55 -22.97 18.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.437 ' ND1' HG23 ' A' ' 52' ' ' ILE . 8.2 m170 -49.58 -34.87 18.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.823 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -69.0 -41.22 78.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -62.66 -11.35 16.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.918 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 41.8 t -100.69 -27.14 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.069 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 81.5 mt -82.64 -40.96 17.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.08 164.06 13.29 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.46 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.1 ptpt -51.4 -52.28 47.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.79 0.329 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -110.81 -25.39 9.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 133.68 47.52 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.542 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -114.34 -37.01 4.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.958 0.409 . . . . 0.0 110.961 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.53 -65.66 0.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 tp -46.0 -45.58 15.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -53.42 -58.28 7.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.896 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -52.76 -43.17 65.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.5 mt -61.69 -55.6 28.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -48.78 -37.72 19.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.3 mt -78.61 -66.6 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -42.07 -40.57 2.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.9 p -94.39 -17.89 22.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.188 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 57.39 33.31 23.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.08 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 66.9 p -108.24 174.79 5.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -108.85 82.05 1.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 89.4 mt -71.23 137.86 22.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.142 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -135.72 113.7 11.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.84 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.505 HG23 ' HD2' ' A' ' 53' ' ' PRO . 53.4 mt -103.57 135.31 19.39 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.667 0.746 . . . . 0.0 111.045 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.505 ' HD2' HG23 ' A' ' 52' ' ' ILE . 53.3 Cg_endo -69.83 156.13 63.95 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.628 2.219 . . . . 0.0 112.354 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -60.81 156.16 47.75 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.543 0.687 . . . . 0.0 110.92 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -2.49 10.24 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.729 2.286 . . . . 0.0 112.273 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -116.26 -8.46 11.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.437 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 2.1 t70 -82.27 141.3 46.02 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.566 0.698 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.437 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.5 Cg_endo -69.73 3.38 2.79 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.666 2.244 . . . . 0.0 112.355 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.484 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 24.0 m -94.81 115.98 28.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.825 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 -112.34 12.26 20.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -103.97 123.11 46.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.812 HD12 HD11 ' A' ' 23' ' ' ILE . 53.0 mt -78.56 154.68 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.453 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 33.7 ttmt -115.75 131.48 56.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.577 ' HB ' HG23 ' A' ' 71' ' ' ILE . 1.1 pt -127.37 120.3 54.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 50.9 m -122.98 145.88 48.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.414 ' H ' HD11 ' A' ' 71' ' ' ILE . . . 152.05 -150.24 22.07 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.497 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 76.9 p -79.2 143.99 34.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 0.0 111.21 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? -40.9 -39.21 1.09 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -76.12 -42.28 47.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -59.58 -60.51 8.63 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.512 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.577 HG23 ' HB ' ' A' ' 64' ' ' ILE . 72.9 mt -51.78 -39.06 23.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.735 0.303 . . . . 0.0 111.111 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -60.19 -49.24 78.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.838 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -55.95 -44.01 78.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.22 -38.25 72.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.417 ' HA ' HG12 ' A' ' 78' ' ' VAL . 2.2 ttp-105 -69.03 -33.41 73.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -75.07 -32.62 61.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -80.02 -48.42 13.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.417 HG12 ' HA ' ' A' ' 75' ' ' ARG . 9.7 p -59.06 -33.42 50.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.7 mt -78.2 -45.96 21.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.8 mt -54.12 -42.07 69.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 19.4 mt -70.66 -52.86 25.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.181 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.3 m -58.1 -32.39 68.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.7 -51.23 43.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.081 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -47.75 -42.91 26.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.428 ' HB2' ' NE2' ' A' ' 27' ' ' HIS . 70.0 mm-40 -57.43 -40.72 79.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -61.81 -32.33 72.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.0 tptp -96.7 28.72 3.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 30.5 ptt-85 -58.4 171.03 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 44.0 m -130.85 -49.3 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -147.85 -158.38 7.89 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.532 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 95.96 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.714 2.276 . . . . 0.0 112.375 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.9 p -44.42 101.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.819 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 30.5 t -88.65 107.48 18.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.486 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -126.78 176.24 7.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.867 0.365 . . . . 0.0 110.855 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.1 p -114.22 159.21 20.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.855 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.18 -171.96 10.13 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.444 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -90.17 90.63 8.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.887 0.375 . . . . 0.0 110.879 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 t -57.6 154.78 10.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.78 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.36 72.31 1.07 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -90.16 45.57 1.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.738 0.304 . . . . 0.0 110.84 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.6 mp -85.59 147.18 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.7 p -150.93 152.86 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -164.47 176.18 9.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -60.67 118.56 6.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 pp -76.23 156.86 33.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.965 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -99.0 -43.67 6.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.6 p -128.53 172.3 11.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -94.44 138.11 32.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.986 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.535 ' O ' HG23 ' A' ' 65' ' ' THR . . . -102.84 164.97 11.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.126 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.2 p -148.98 131.86 16.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.47 175.74 7.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.119 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.427 HG23 ' HD2' ' A' ' 63' ' ' LYS . 3.4 p -139.18 151.47 46.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.181 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.562 HG11 HG11 ' A' ' 78' ' ' VAL . 4.7 p -126.31 102.27 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.2 114.02 2.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.638 HD11 HD12 ' A' ' 62' ' ' ILE . 8.6 pt -140.96 155.49 68.85 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.656 0.741 . . . . 0.0 111.112 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.536 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.9 Cg_endo -69.76 146.19 59.46 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.648 2.232 . . . . 0.0 112.398 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.2 tptp -57.25 -12.25 2.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -81.42 -22.99 37.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.847 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.572 ' CD2' ' HG3' ' A' ' 85' ' ' GLN . 62.0 m170 -91.43 -30.92 16.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -47.62 -44.88 27.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.48 ' CZ ' ' HB3' ' A' ' 29' ' ' ARG . 4.6 ptp180 -63.06 -40.11 96.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -62.6 -30.06 71.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.436 HG21 HG23 ' A' ' 78' ' ' VAL . 97.6 t -78.23 -37.9 22.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.423 ' C ' ' HB3' ' A' ' 38' ' ' LYS . 77.5 mt -71.0 -39.34 74.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 34' ' ' LYS . . . 113.3 140.85 7.8 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 33' ' ' GLY . 22.5 tttt -34.73 -48.05 0.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.739 0.304 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -110.53 -31.04 7.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 132.32 46.3 0.12 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -120.86 -6.24 9.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.907 0.384 . . . . 0.0 110.901 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.423 ' HB3' ' C ' ' A' ' 32' ' ' ILE . 14.2 tptp -84.31 -24.8 29.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.658 HD11 ' OE2' ' A' ' 43' ' ' GLU . 7.6 tp -85.7 -46.86 10.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.401 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 6.0 pt20 -60.86 -42.75 98.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.972 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.401 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 4.3 t70 -66.44 -39.68 89.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.18 -54.37 30.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.658 ' OE2' HD11 ' A' ' 39' ' ' LEU . 30.1 mt-10 -48.2 -28.48 3.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.4 mt -88.29 -60.85 1.85 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -47.54 -34.73 7.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.7 p -99.45 -20.58 16.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.165 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 61.94 35.33 16.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.046 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 74.9 p -115.17 179.24 4.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -111.12 99.43 8.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.445 HD12 ' HG3' ' A' ' 43' ' ' GLU . 80.1 mt -88.25 116.07 29.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.158 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -115.15 107.82 15.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.64 HG23 ' HD2' ' A' ' 53' ' ' PRO . 53.9 mt -98.55 138.34 20.76 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.652 0.739 . . . . 0.0 111.087 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.64 ' HD2' HG23 ' A' ' 52' ' ' ILE . 54.1 Cg_endo -69.77 157.2 61.18 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.687 2.258 . . . . 0.0 112.41 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 38.8 mtt-85 -53.68 160.27 2.12 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.61 0.719 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.89 -7.64 21.6 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.653 2.235 . . . . 0.0 112.267 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -126.95 19.17 7.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.422 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 2.6 t70 -92.33 141.07 24.5 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.597 0.713 . . . . 0.0 110.825 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.422 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.8 Cg_endo -69.81 1.81 4.13 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.673 2.249 . . . . 0.0 112.335 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.7 m -101.98 120.47 40.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -115.85 28.07 8.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -114.41 118.0 32.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.638 HD12 HD11 ' A' ' 23' ' ' ILE . 40.4 mt -74.66 149.25 7.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.427 ' HD2' HG23 ' A' ' 20' ' ' THR . 6.7 tptm -110.84 136.3 50.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.897 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.532 HD12 HG23 ' A' ' 71' ' ' ILE . 1.0 OUTLIER -131.0 124.02 55.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.184 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.535 HG23 ' O ' ' A' ' 17' ' ' ALA . 33.5 m -129.85 142.35 50.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.175 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 154.77 -150.67 22.28 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.485 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 p -76.78 143.33 39.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.838 0.352 . . . . 0.0 111.166 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -41.08 -34.44 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.856 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -79.91 -44.86 19.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -57.04 -53.83 41.58 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.532 HG23 HD12 ' A' ' 64' ' ' ILE . 76.5 mt -56.39 -42.12 73.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 111.178 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -58.37 -46.71 85.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -56.27 -51.83 66.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.837 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.15 -37.07 84.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.107 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -69.65 -30.84 68.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 59.6 t60 -76.77 -30.83 56.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -81.15 -46.22 15.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.562 HG11 HG11 ' A' ' 21' ' ' VAL . 8.4 p -62.65 -31.95 53.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.075 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 15.7 mt -79.88 -41.49 26.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.0 mt -59.37 -41.12 88.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.92 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 22.1 mt -68.47 -50.94 51.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.198 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 24.1 p -57.91 -41.86 83.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.1 -54.06 51.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -46.29 -46.95 18.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.572 ' HG3' ' CD2' ' A' ' 27' ' ' HIS . 51.9 mm-40 -53.08 -48.96 67.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.959 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -49.68 -45.18 48.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 40.1 tttm -62.82 -57.38 11.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -71.01 171.91 10.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 87.8 p 41.65 40.35 1.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -173.72 -168.76 35.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.512 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 165.68 30.05 Favored 'Trans proline' 0 C--O 1.23 0.123 0 C-N-CA 122.775 2.317 . . . . 0.0 112.314 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 90.0 p -126.75 150.35 49.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.6 t -108.91 130.77 55.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.828 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.501 179.969 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.2 m -98.85 134.69 41.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.862 0.363 . . . . 0.0 110.863 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.7 p -170.81 158.71 6.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.41 52.69 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.473 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -97.62 117.98 33.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.854 0.359 . . . . 0.0 110.907 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.7 t -61.01 -57.15 13.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.34 134.27 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.52 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -163.01 123.78 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.36 . . . . 0.0 110.84 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.685 ' H ' HD13 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -97.78 154.64 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.7 m -97.82 165.31 2.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.141 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -136.51 116.67 13.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 -136.98 170.87 15.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.447 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.8 pt? -100.25 132.51 45.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -152.94 178.23 9.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.9 p -68.04 177.1 2.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.075 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.552 ' OE1' HG22 ' A' ' 65' ' ' THR . 3.1 pt20 -112.78 163.52 14.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -95.83 169.27 10.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.2 p -147.26 123.8 11.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.31 170.13 10.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.02 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.529 HG22 ' O ' ' A' ' 62' ' ' ILE . 1.2 p -139.13 148.26 43.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.183 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.643 HG11 HG11 ' A' ' 78' ' ' VAL . 5.3 p -123.79 106.94 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.73 117.6 7.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.721 HD11 HD12 ' A' ' 62' ' ' ILE . 5.3 pt -144.39 156.65 57.12 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.626 0.727 . . . . 0.0 111.133 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.536 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 54.0 Cg_endo -69.74 151.27 69.14 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.725 2.283 . . . . 0.0 112.319 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.2 tptp -58.46 -17.82 23.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.522 ' HG3' ' CD2' ' A' ' 27' ' ' HIS . 2.5 pt-20 -78.52 -21.15 49.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.536 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 66.6 m170 -95.07 -11.52 28.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -70.42 -33.03 70.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.403 ' HB3' ' NH1' ' A' ' 29' ' ' ARG . 1.1 ptp180 -76.85 -28.87 55.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -74.11 -9.3 58.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 27' ' ' HIS . 62.8 t -103.02 -26.03 3.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.412 HG22 ' HA2' ' A' ' 36' ' ' GLY . 59.8 mt -83.76 -39.67 15.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.49 160.84 11.87 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.482 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 35' ' ' ASN . 27.3 pttt -55.11 -44.88 75.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.686 0.279 . . . . 0.0 110.837 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.411 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 48.3 m-20 -111.07 -26.88 9.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.412 ' HA2' HG22 ' A' ' 32' ' ' ILE . . . 127.1 50.42 0.16 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.486 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -123.37 -24.83 4.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.958 0.408 . . . . 0.0 110.928 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -56.27 -55.4 33.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.405 HD11 ' HB ' ' A' ' 50' ' ' ILE . 8.7 tp -54.16 -42.82 70.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -55.05 -62.21 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -49.06 -36.43 18.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.4 mt -67.95 -56.41 9.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -49.05 -25.53 2.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.6 mt -89.0 -63.98 1.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -46.25 -37.46 7.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.423 HG21 ' HB2' ' A' ' 74' ' ' ALA . 14.4 p -97.7 -15.61 20.3 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.128 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 54.88 33.08 19.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.077 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 64.0 p -108.51 173.99 6.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.152 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -110.07 82.67 1.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.405 ' HB ' HD11 ' A' ' 39' ' ' LEU . 67.8 mt -72.2 135.59 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -131.92 107.71 8.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.627 HG23 ' HD2' ' A' ' 53' ' ' PRO . 43.6 mt -96.77 138.13 21.38 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.578 0.704 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.627 ' HD2' HG23 ' A' ' 52' ' ' ILE . 53.2 Cg_endo -69.87 160.3 50.18 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.641 2.227 . . . . 0.0 112.331 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -72.8 156.85 89.56 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.592 0.711 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -15.63 37.12 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.655 2.236 . . . . 0.0 112.33 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -95.06 -16.43 22.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.844 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.429 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 2.5 t70 -87.52 140.62 31.87 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.617 0.722 . . . . 0.0 110.883 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.429 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 54.4 Cg_endo -69.68 3.12 2.92 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 2.262 . . . . 0.0 112.377 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.5 m -88.54 123.15 32.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -126.06 26.97 6.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -109.77 118.53 36.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.961 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.721 HD12 HD11 ' A' ' 23' ' ' ILE . 46.6 mt -73.95 148.33 8.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.977 0.418 . . . . 0.0 111.115 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.427 ' HA ' HG22 ' A' ' 20' ' ' THR . 19.5 tttt -115.71 134.93 54.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.945 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.7 HD12 ' CG2' ' A' ' 71' ' ' ILE . 1.1 pt -127.84 126.89 67.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.136 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.552 HG22 ' OE1' ' A' ' 16' ' ' GLN . 5.6 m -129.29 138.33 51.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 157.59 -152.91 24.18 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.427 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 62.8 p -81.42 144.11 31.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.883 0.373 . . . . 0.0 111.185 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -40.68 -34.36 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -77.28 -44.03 31.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -61.93 -58.31 13.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.517 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.7 ' CG2' HD12 ' A' ' 64' ' ' ILE . 68.2 mt -51.59 -41.86 28.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.797 0.332 . . . . 0.0 111.141 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -54.34 -48.94 70.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -54.74 -56.77 15.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.004 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.423 ' HB2' HG21 ' A' ' 46' ' ' THR . . . -60.26 -37.09 79.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.047 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.8 ttp85 -68.58 -36.56 78.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -70.26 -28.82 65.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -82.84 -50.15 8.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.643 HG11 HG11 ' A' ' 21' ' ' VAL . 5.1 p -60.08 -29.97 44.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.188 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.8 mt -81.74 -35.45 29.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.7 mt -66.83 -46.55 74.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 40.9 mt -58.54 -58.76 5.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.178 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 64.1 p -52.82 -49.53 65.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -47.73 -54.7 11.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.082 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -50.77 -44.18 58.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.531 ' CB ' ' NE2' ' A' ' 27' ' ' HIS . 43.3 mm-40 -59.54 -52.29 66.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.91 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.423 ' OD1' ' C ' ' A' ' 86' ' ' ASP . 2.7 t0 -41.84 -42.04 2.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 23.2 ttmt -68.3 -66.19 0.6 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -63.21 146.14 54.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.822 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 34.3 t -68.06 -58.24 4.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 152.44 -95.08 0.15 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.43 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 92' ' ' SER . 53.8 Cg_endo -69.74 -11.23 30.43 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.67 2.247 . . . . 0.0 112.324 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 91' ' ' PRO . 1.2 t -35.5 137.89 0.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 79.3 p -61.34 128.94 38.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.811 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.464 179.965 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.5 m -83.46 111.53 19.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.341 . . . . 0.0 110.893 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.8 t -49.09 -50.69 35.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.828 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.59 147.61 11.13 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.466 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.3 p -156.89 145.79 20.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.947 0.403 . . . . 0.0 110.874 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -131.22 119.54 21.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.45 54.59 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.511 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -81.9 85.89 6.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.794 0.33 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.4 ' C ' HD12 ' A' ' 9' ' ' ILE . 2.7 pp -59.55 158.01 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.6 t -51.9 112.31 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.31 130.63 43.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.083 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -136.92 122.56 19.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.0 mp -109.71 96.11 6.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.965 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -73.35 -59.39 2.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.9 t -165.51 172.13 12.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.102 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -41.08 130.82 2.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -101.7 170.06 8.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.6 p -149.66 124.41 9.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.844 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -123.8 169.68 11.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.106 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.451 HG22 ' O ' ' A' ' 62' ' ' ILE . 1.8 p -139.05 160.55 39.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.45 HG11 HG11 ' A' ' 78' ' ' VAL . 2.7 p -134.19 111.85 15.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.01 112.2 5.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.103 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.764 HD11 HD12 ' A' ' 62' ' ' ILE . 5.8 pt -142.21 156.4 64.52 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.643 0.735 . . . . 0.0 111.14 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 140.76 43.37 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.645 2.23 . . . . 0.0 112.357 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.4 mmmm -53.57 -15.27 1.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.438 ' O ' ' NH1' ' A' ' 29' ' ' ARG . 2.9 pt-20 -75.63 -29.22 59.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.51 ' CE1' ' HB2' ' A' ' 85' ' ' GLN . 64.7 m170 -91.45 -9.76 43.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.777 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -64.86 -38.58 91.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.438 ' NH1' ' O ' ' A' ' 26' ' ' GLU . 3.5 ptp85 -73.01 -30.04 63.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -68.64 -19.71 64.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 88.9 t -93.18 -33.12 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.422 ' C ' ' HB3' ' A' ' 38' ' ' LYS . 92.3 mt -71.38 -43.24 73.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 34' ' ' LYS . . . 124.46 140.33 5.49 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.52 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 33' ' ' GLY . 44.5 tttm -37.93 -45.42 0.87 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.839 0.352 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -111.34 -28.73 8.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.2 44.02 0.26 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.441 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -126.06 -6.86 6.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.913 0.387 . . . . 0.0 110.879 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.422 ' HB3' ' C ' ' A' ' 32' ' ' ILE . 21.9 tptm -75.2 -48.63 22.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.7 tp -57.42 -46.77 83.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -49.28 -61.24 2.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -48.05 -43.36 30.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.1 mt -61.71 -53.45 55.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -49.07 -32.94 10.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 47' ' ' ALA . 28.4 mt -83.62 -66.9 0.84 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -40.11 -36.67 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 29.2 p -100.6 -16.52 17.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.167 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' LEU . . . 57.43 35.42 25.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 64.3 p -110.04 175.97 5.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.182 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -113.1 77.15 1.02 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 70.6 mt -66.61 126.48 26.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -123.73 114.95 20.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.637 HG23 ' HD2' ' A' ' 53' ' ' PRO . 38.0 mt -102.24 138.25 19.67 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.686 0.755 . . . . 0.0 111.122 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.637 ' HD2' HG23 ' A' ' 52' ' ' ILE . 53.4 Cg_endo -69.81 154.92 66.98 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.714 2.276 . . . . 0.0 112.318 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 35.2 mtp180 -67.53 158.8 81.27 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.559 0.695 . . . . 0.0 110.943 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -19.0 36.89 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.705 2.27 . . . . 0.0 112.352 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -90.33 -27.04 19.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.805 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.431 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 2.1 t70 -77.16 140.99 66.39 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.631 0.729 . . . . 0.0 110.817 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.431 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.9 Cg_endo -69.77 -0.11 6.45 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.73 2.287 . . . . 0.0 112.284 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.8 m -80.97 122.9 27.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -124.82 21.97 8.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -109.17 120.96 44.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.764 HD12 HD11 ' A' ' 23' ' ' ILE . 51.9 mt -73.99 149.94 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.17 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.444 ' HA ' HG22 ' A' ' 20' ' ' THR . 18.8 tttm -114.87 136.79 52.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.579 HD12 ' CG2' ' A' ' 71' ' ' ILE . 1.1 pt -131.28 115.15 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.16 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.9 m -118.26 133.04 56.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.533 ' H ' HD11 ' A' ' 71' ' ' ILE . . . 166.01 -146.3 10.89 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.533 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 47.7 p -83.4 164.52 19.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.368 . . . . 0.0 111.117 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -61.32 -30.11 70.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -87.01 -42.4 13.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.946 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -61.22 -56.6 22.82 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.579 ' CG2' HD12 ' A' ' 64' ' ' ILE . 78.6 mt -52.25 -43.29 39.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.82 0.343 . . . . 0.0 111.134 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -51.33 -59.67 3.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -45.57 -56.08 5.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.18 -41.34 83.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.152 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.44 ' O ' HD12 ' A' ' 79' ' ' LEU . 5.8 ttp-105 -65.74 -33.07 75.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 57.2 t60 -75.32 -34.95 61.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -74.22 -44.8 51.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.45 HG11 HG11 ' A' ' 21' ' ' VAL . 5.1 p -64.85 -38.36 82.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.44 HD12 ' O ' ' A' ' 75' ' ' ARG . 10.0 mt -71.24 -38.55 71.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.4 mt -62.76 -51.0 68.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 36.3 mt -55.24 -60.8 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 24.6 p -56.39 -43.74 79.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.83 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.49 -41.8 77.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.175 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -65.65 -40.45 92.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.51 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 62.3 mm-40 -56.96 -35.58 69.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.921 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -54.04 -34.32 59.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.92 -64.68 1.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.83 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -63.91 125.23 23.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.4 t -118.78 -47.9 2.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 164.29 151.45 6.53 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.409 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 117.84 5.32 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.672 2.248 . . . . 0.0 112.326 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 26.0 m -126.84 -54.85 1.4 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.1 t -55.65 135.01 51.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.798 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.221 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.45 179.934 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t 58.31 42.03 22.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.361 . . . . 0.0 110.889 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.0 p -83.28 109.22 17.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.01 145.68 7.72 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 t -146.52 148.52 32.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 110.814 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.7 p -173.51 176.34 2.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.809 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.9 155.87 9.01 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.517 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -169.58 135.78 1.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.746 0.308 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.485 HG22 ' H ' ' A' ' 12' ' ' ARG . 35.5 mt -65.49 129.29 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.156 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.7 m -87.43 52.32 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.188 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 58.7 45.96 15.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.145 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.485 ' H ' HG22 ' A' ' 9' ' ' ILE . 36.0 mtm180 -85.9 161.68 18.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 51.9 mt -67.81 172.26 5.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -116.1 79.77 1.36 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.9 m -133.37 146.09 50.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -52.38 137.59 28.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.442 ' O ' HG23 ' A' ' 65' ' ' THR . . . -101.44 165.34 11.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 p -149.28 124.21 9.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.86 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -119.45 170.39 9.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.044 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.432 HG22 ' O ' ' A' ' 62' ' ' ILE . 1.1 p -139.1 149.39 44.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.115 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.512 ' O ' HG13 ' A' ' 21' ' ' VAL . 5.5 p -124.96 109.9 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.6 115.93 8.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.792 HD11 HD12 ' A' ' 62' ' ' ILE . 2.5 pt -141.54 158.11 64.0 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.648 0.737 . . . . 0.0 111.129 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.546 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.2 Cg_endo -69.74 149.58 67.22 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.653 2.235 . . . . 0.0 112.381 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -11.59 10.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.432 ' O ' ' CE1' ' A' ' 30' ' ' PHE . 2.2 pt-20 -88.7 -11.72 44.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.546 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 59.2 m170 -105.7 -10.89 16.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.857 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -65.77 -47.39 75.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -62.77 -29.36 70.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.432 ' CE1' ' O ' ' A' ' 26' ' ' GLU . 23.8 m-85 -64.0 -32.72 74.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.516 HG21 HG23 ' A' ' 78' ' ' VAL . 77.5 t -79.91 -32.95 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.138 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.426 ' C ' ' HB3' ' A' ' 38' ' ' LYS . 96.8 mt -69.48 -44.93 79.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 119.13 164.16 12.65 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.443 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -39.55 -61.41 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.34 . . . . 0.0 110.935 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -111.25 -34.79 6.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 150.94 54.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.412 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -122.05 -45.49 2.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.351 . . . . 0.0 110.833 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.426 ' HB3' ' C ' ' A' ' 32' ' ' ILE . 14.4 tptm -41.58 -59.54 1.59 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.968 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.439 HD11 ' HB ' ' A' ' 50' ' ' ILE . 6.9 tp -51.24 -42.46 61.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 -54.59 -55.87 24.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -58.32 -45.99 87.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.9 mt -56.73 -55.07 38.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 47' ' ' ALA . 20.9 mt-10 -47.26 -41.38 18.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 47' ' ' ALA . 32.6 mt -74.66 -66.91 0.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.8 ttpt -42.18 -33.66 0.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.416 ' O ' HG23 ' A' ' 48' ' ' THR . 22.4 p -102.29 -15.31 16.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . 52.02 39.8 27.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.042 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 46' ' ' THR . 68.1 p -114.96 175.47 5.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.133 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -109.22 82.8 1.65 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.846 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.439 ' HB ' HD11 ' A' ' 39' ' ' LEU . 80.4 mt -72.58 128.2 35.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.165 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -127.74 110.31 12.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.96 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.499 HG23 ' HD2' ' A' ' 53' ' ' PRO . 36.3 mt -99.67 134.83 20.8 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.648 0.737 . . . . 0.0 111.156 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.499 ' HD2' HG23 ' A' ' 52' ' ' ILE . 53.9 Cg_endo -69.69 151.07 69.36 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.7 2.267 . . . . 0.0 112.308 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -58.18 157.62 16.28 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.629 0.728 . . . . 0.0 110.846 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.9 -17.35 36.99 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.665 2.243 . . . . 0.0 112.375 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -97.55 -22.73 16.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -69.98 139.28 87.87 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.623 0.725 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 3.2 2.89 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.717 2.278 . . . . 0.0 112.385 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.445 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 12.7 m -97.61 118.9 35.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.817 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -118.8 30.83 6.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -112.0 119.56 38.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.792 HD12 HD11 ' A' ' 23' ' ' ILE . 43.8 mt -74.56 148.1 8.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -112.89 134.24 54.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.582 ' HB ' HG23 ' A' ' 71' ' ' ILE . 1.1 pt -130.46 120.3 48.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.155 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 17' ' ' ALA . 30.3 m -125.3 145.81 49.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.066 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.419 ' H ' HD11 ' A' ' 71' ' ' ILE . . . 153.6 -150.25 21.9 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.409 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 75.2 p -78.59 144.04 35.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.894 0.378 . . . . 0.0 111.054 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -39.41 -36.66 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -80.97 -42.58 21.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -56.6 -59.28 11.05 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.582 HG23 ' HB ' ' A' ' 64' ' ' ILE . 71.8 mt -53.2 -44.99 54.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.779 0.323 . . . . 0.0 111.119 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -53.12 -48.07 68.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -54.19 -57.79 9.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.805 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.18 -34.9 75.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.606 ' O ' HD12 ' A' ' 79' ' ' LEU . 26.8 ttp85 -68.77 -35.03 76.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 35.6 t60 -75.15 -39.57 60.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.796 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -70.67 -49.55 46.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.516 HG23 HG21 ' A' ' 31' ' ' VAL . 9.8 p -58.01 -35.19 51.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.606 HD12 ' O ' ' A' ' 75' ' ' ARG . 13.2 mt -75.47 -39.01 59.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.8 mt -62.41 -41.51 98.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 19.1 mt -65.85 -57.46 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.8 t -52.85 -45.03 67.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.45 -54.78 39.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.032 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -51.08 -43.02 60.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.464 ' CB ' ' NE2' ' A' ' 27' ' ' HIS . 76.5 mm-40 -56.16 -54.34 46.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -40.78 -43.46 2.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 53.1 tttt -63.68 -50.63 68.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -64.99 141.74 58.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.7 m 46.2 40.07 6.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -149.73 -158.14 8.01 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.54 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 93.64 0.52 Allowed 'Trans proline' 0 C--N 1.34 0.118 0 C-N-CA 122.717 2.278 . . . . 0.0 112.362 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.7 m -72.94 118.5 15.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 54.5 m -99.24 135.59 40.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.787 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.452 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.427 -0.269 . . . . 0.0 112.427 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -82.25 -60.82 2.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.818 0.342 . . . . 0.0 110.849 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.0 m 61.6 41.86 11.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.71 79.39 0.28 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.515 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.4 p -134.23 148.2 50.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.856 0.36 . . . . 0.0 110.959 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.3 m 43.83 42.81 4.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.12 -89.26 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.7 t0 47.82 51.2 14.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.738 0.304 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.489 HD13 ' N ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -68.26 153.52 8.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.405 HG22 ' N ' ' A' ' 11' ' ' ALA . 12.3 p -112.37 154.37 13.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.405 ' N ' HG22 ' A' ' 10' ' ' VAL . . . -72.74 113.43 9.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.134 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -93.78 141.87 28.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 33.6 mt -146.36 163.25 36.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.96 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -126.82 73.88 1.44 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.9 p -120.68 165.41 15.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -130.82 139.58 50.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.968 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.42 ' O ' HD11 ' A' ' 71' ' ' ILE . . . -110.88 162.72 14.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.143 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 p -149.38 124.7 10.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -116.89 175.32 5.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.087 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.529 HG22 ' O ' ' A' ' 62' ' ' ILE . 0.8 OUTLIER -139.21 154.81 48.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.191 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.503 ' O ' HG13 ' A' ' 21' ' ' VAL . 5.1 p -129.56 110.46 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.198 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.39 111.41 5.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 1.067 HD11 HD12 ' A' ' 62' ' ' ILE . 2.9 pt -143.15 156.38 61.46 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.677 0.751 . . . . 0.0 111.111 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.531 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.6 Cg_endo -69.7 140.89 44.03 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.82 2.347 . . . . 0.0 112.282 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.6 mtmm -55.83 -13.48 1.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.822 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -79.56 -25.0 41.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.531 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 67.4 m170 -90.77 -17.94 25.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.83 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -54.78 -36.76 65.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -64.74 -41.75 95.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -58.62 -25.06 62.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.4 t -88.28 -36.99 9.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.13 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.414 ' C ' ' HB3' ' A' ' 38' ' ' LYS . 87.9 mt -67.82 -42.22 85.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.08 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 116.19 168.1 15.04 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.49 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -58.38 -51.85 68.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.734 0.302 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -109.27 -17.37 13.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 122.02 54.52 0.22 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -128.45 -30.19 2.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.938 0.399 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.414 ' HB3' ' C ' ' A' ' 32' ' ' ILE . 13.1 tptm -56.11 -24.36 40.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.4 tp -89.29 -42.97 11.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -64.82 -40.74 95.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -70.85 -36.88 73.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.0 mt -63.8 -51.45 64.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -55.78 -31.06 62.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 42.0 mt -80.02 -63.65 1.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.7 ttpp -47.17 -38.47 11.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.2 p -95.02 -19.99 19.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.165 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 61.74 47.3 6.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.143 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 65.3 p -123.91 176.75 6.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -112.25 85.35 2.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 60.7 mt -77.92 130.16 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.064 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -127.48 109.18 11.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.502 HG23 ' HD2' ' A' ' 53' ' ' PRO . 81.1 mt -97.55 134.32 22.65 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.645 0.736 . . . . 0.0 111.162 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.502 ' HD2' HG23 ' A' ' 52' ' ' ILE . 53.7 Cg_endo -69.72 152.57 69.52 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.726 2.284 . . . . 0.0 112.359 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -60.78 156.97 42.29 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.516 0.674 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -2.39 10.14 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.687 2.258 . . . . 0.0 112.306 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -116.03 -6.21 11.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.432 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.4 t70 -87.0 141.11 32.98 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.558 0.694 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.432 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 54.5 Cg_endo -69.69 2.9 3.08 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.667 2.245 . . . . 0.0 112.392 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.466 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 36.4 m -92.23 120.35 32.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.776 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -117.45 5.69 12.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -98.63 119.12 36.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 1.067 HD12 HD11 ' A' ' 23' ' ' ILE . 43.9 mt -76.83 151.98 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.178 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.409 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 26.2 ttpt -114.68 129.5 56.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.861 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.606 ' HB ' HG23 ' A' ' 71' ' ' ILE . 1.1 pt -123.33 116.98 50.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.138 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 60.6 m -118.01 139.17 51.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.624 ' H ' HD11 ' A' ' 71' ' ' ILE . . . 160.09 -155.93 27.11 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.527 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 69' ' ' GLU . 34.7 p -76.75 139.64 40.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.909 0.385 . . . . 0.0 111.127 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 67' ' ' THR . 8.0 tmtt? -36.45 -30.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 67' ' ' THR . 18.5 mm-40 -83.43 -46.68 12.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 67' ' ' THR . . . -57.12 -60.81 8.35 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.432 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.624 HD11 ' H ' ' A' ' 66' ' ' GLY . 73.6 mt -49.48 -42.72 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 0.0 111.088 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -55.53 -52.47 63.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.962 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 30.3 mttp -51.09 -55.0 19.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.62 -36.53 83.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.1 ttp85 -67.47 -33.12 74.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -74.07 -41.79 61.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -67.8 -51.71 45.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.416 HG11 HG11 ' A' ' 21' ' ' VAL . 4.5 p -56.57 -34.13 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.082 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.1 mt -77.21 -41.73 40.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.1 mt -60.28 -43.55 96.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 25.1 mt -66.3 -54.99 20.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.4 t -53.85 -47.43 71.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.55 -47.08 76.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.095 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -52.37 -41.55 63.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.434 ' HB2' ' NE2' ' A' ' 27' ' ' HIS . 50.6 mm-40 -66.63 -42.96 85.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.35 -33.82 6.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.794 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -67.25 -66.11 0.6 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.86 166.38 1.47 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.847 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 27.0 t -136.66 156.39 48.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -130.49 -158.2 9.24 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.471 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 163.96 36.36 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.726 2.284 . . . . 0.0 112.26 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.1 t -74.95 164.8 26.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 64.5 p -63.88 118.48 8.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.448 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 1' ' ' GLY . 1.9 m 34.52 50.45 0.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.865 0.364 . . . . 0.0 110.792 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.9 m -97.29 119.95 36.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.827 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.82 -161.74 27.53 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.522 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.3 p -149.48 169.2 21.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.867 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.2 p -147.87 141.39 25.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.12 104.94 1.03 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.438 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.89 138.14 33.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.819 0.342 . . . . 0.0 110.868 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 46.3 mm -103.23 124.77 57.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.5 m -89.53 47.39 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.149 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.82 155.7 3.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.422 ' NH1' ' HB3' ' A' ' 12' ' ' ARG . 5.1 mmm180 -112.99 130.79 56.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.5 mp -102.6 115.33 30.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -96.13 -53.55 3.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.95 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.5 p -99.75 171.26 8.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.094 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -120.02 150.27 40.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.54 ' O ' HD11 ' A' ' 71' ' ' ILE . . . -115.24 151.05 35.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.078 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.471 ' HB3' HG23 ' A' ' 65' ' ' THR . 4.0 p -137.05 126.21 24.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -118.94 174.1 6.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.179 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 p -139.09 157.7 45.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.125 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.522 ' O ' HG13 ' A' ' 21' ' ' VAL . 4.7 p -132.73 105.57 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.79 114.98 4.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.079 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.74 HD11 HD12 ' A' ' 62' ' ' ILE . 10.3 pt -144.55 155.31 56.95 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.653 0.739 . . . . 0.0 111.114 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.468 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.1 Cg_endo -69.84 145.28 56.23 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.7 2.266 . . . . 0.0 112.319 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -57.74 -11.9 2.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.401 ' OE2' ' O ' ' A' ' 26' ' ' GLU . 3.1 tp10 -80.45 -31.59 37.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.475 ' NE2' ' CB ' ' A' ' 85' ' ' GLN . 64.9 m170 -86.65 -16.61 36.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -56.69 -54.54 44.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -50.08 -42.39 49.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -57.38 -31.44 65.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.826 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.1 t -78.4 -36.55 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.173 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.408 ' C ' ' HB3' ' A' ' 38' ' ' LYS . 41.9 mt -72.52 -41.36 63.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.116 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.2 148.46 8.8 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.531 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 35' ' ' ASN . 37.1 pttt -47.31 -43.07 22.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.717 0.294 . . . . 0.0 110.871 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.425 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 1.0 OUTLIER -109.8 -25.85 10.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.885 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 123.18 51.0 0.21 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.53 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -126.51 -28.11 3.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.892 0.377 . . . . 0.0 110.91 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.408 ' HB3' ' C ' ' A' ' 32' ' ' ILE . 25.2 tptt -56.17 -26.41 50.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.7 tp -87.65 -43.87 11.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -63.69 -38.74 92.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -72.51 -33.61 67.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.6 mt -70.84 -51.32 27.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -52.35 -29.38 23.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.1 mt -83.89 -65.89 0.96 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.969 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.7 ttpp -45.29 -35.8 3.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.441 HG21 ' HB2' ' A' ' 74' ' ' ALA . 27.8 p -99.54 -11.2 21.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.133 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 50.58 42.91 27.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.411 HG23 ' O ' ' A' ' 46' ' ' THR . 53.7 p -116.39 -178.82 3.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.21 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.3 tppt? -116.21 82.38 1.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 73.7 mt -75.37 119.99 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.104 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -121.6 107.07 11.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.679 HG23 ' HD2' ' A' ' 53' ' ' PRO . 56.1 mt -91.68 138.64 25.01 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.556 0.693 . . . . 0.0 111.17 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.679 ' HD2' HG23 ' A' ' 52' ' ' ILE . 52.9 Cg_endo -69.87 145.89 57.91 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.686 2.257 . . . . 0.0 112.315 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 29.1 mtt85 -57.36 156.78 14.5 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.565 0.698 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.67 -13.03 34.29 Favored 'Trans proline' 0 C--O 1.231 0.125 0 C-N-CA 122.672 2.248 . . . . 0.0 112.385 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -97.26 -24.51 15.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.432 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.4 t70 -77.7 141.12 64.14 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.574 0.702 . . . . 0.0 110.847 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.432 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 54.1 Cg_endo -69.72 0.35 5.75 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.702 2.268 . . . . 0.0 112.32 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.467 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 16.8 m -83.23 120.54 25.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.839 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -121.54 21.23 10.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -108.62 121.78 45.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.74 HD12 HD11 ' A' ' 23' ' ' ILE . 53.4 mt -75.26 149.28 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -113.92 132.51 55.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.462 ' HB ' HG23 ' A' ' 71' ' ' ILE . 1.1 pt -127.61 114.94 37.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.471 HG23 ' HB3' ' A' ' 18' ' ' SER . 7.6 m -125.33 138.42 54.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.452 ' H ' HD11 ' A' ' 71' ' ' ILE . . . 161.57 -141.51 7.35 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.494 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.2 p -81.21 139.62 35.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.863 0.363 . . . . 0.0 111.124 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.0 ttmt -42.61 -33.65 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.959 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -83.58 -35.5 24.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.51 -52.4 35.27 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.54 HD11 ' O ' ' A' ' 17' ' ' ALA . 83.0 mt -55.01 -48.31 75.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.796 0.331 . . . . 0.0 111.117 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -53.46 -44.17 68.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -58.38 -53.6 56.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.793 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.441 ' HB2' HG21 ' A' ' 46' ' ' THR . . . -64.17 -33.77 76.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -68.97 -37.08 78.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -71.19 -33.51 70.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -76.88 -50.92 12.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.6 p -56.96 -37.85 56.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.173 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.5 mt -73.82 -39.76 63.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.1 mt -61.19 -41.44 96.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.981 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 21.0 mt -69.93 -49.11 59.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.162 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 67.1 p -60.04 -42.14 93.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.89 -55.55 33.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.055 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -45.65 -43.76 12.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.475 ' CB ' ' NE2' ' A' ' 27' ' ' HIS . 71.5 mm-40 -54.85 -41.81 71.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -61.67 -34.4 75.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -69.29 -36.78 77.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -43.0 -50.62 5.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 82.5 p -147.59 113.02 5.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -146.51 -157.19 7.22 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.503 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 93.18 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.719 2.28 . . . . 0.0 112.327 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.6 m 39.14 41.23 0.58 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.1 p -104.66 137.21 42.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.83 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.525 179.985 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -86.1 -47.48 9.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 0.0 110.846 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.4 p -73.09 -53.67 10.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 101.65 97.0 2.3 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 4' ' ' GLY . 8.2 m -37.19 115.86 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.868 0.366 . . . . 0.0 110.88 -179.714 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.5 t -114.54 131.35 56.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.84 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.6 143.88 5.96 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.462 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.426 ' OD1' ' C ' ' A' ' 8' ' ' ASP . 37.6 t0 -139.33 119.48 13.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.762 0.315 . . . . 0.0 110.847 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.5 mt -84.16 135.12 25.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.8 p -118.22 144.59 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.179 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -171.75 112.84 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -51.82 174.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.457 ' H ' HD23 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -116.46 127.32 54.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.472 ' O ' HG23 ' A' ' 15' ' ' THR . 13.1 pt20 -70.52 -47.31 61.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.472 HG23 ' O ' ' A' ' 14' ' ' GLN . 9.2 p -157.34 -179.17 7.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -41.85 137.14 1.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.965 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -112.21 152.49 28.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.044 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.2 p -141.58 128.49 20.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.81 170.76 9.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.463 HG22 ' HA ' ' A' ' 63' ' ' LYS . 2.4 p -138.98 159.35 42.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.529 ' O ' HG13 ' A' ' 21' ' ' VAL . 5.7 p -132.97 107.58 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.11 116.22 6.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.062 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.763 HD11 HD12 ' A' ' 62' ' ' ILE . 8.5 pt -145.83 155.69 52.01 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.613 0.72 . . . . 0.0 111.195 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.522 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.4 Cg_endo -69.71 139.41 40.33 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.423 ' HZ2' ' HB3' ' A' ' 25' ' ' LYS . 1.2 mmmp? -51.03 -17.74 0.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.84 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -74.36 -33.45 63.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.522 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 63.0 m170 -85.42 -12.24 52.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -63.07 -42.35 99.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -66.41 -19.45 65.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -80.02 -26.8 39.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.5 t -82.44 -32.72 10.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.156 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.454 HG22 ' HA2' ' A' ' 36' ' ' GLY . 78.7 mt -72.33 -44.18 63.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.123 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 34' ' ' LYS . . . 122.98 162.98 11.67 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 33' ' ' GLY . 21.6 tttt -37.27 -61.46 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.771 0.319 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 -112.08 -34.42 5.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.454 ' HA2' HG22 ' A' ' 32' ' ' ILE . . . 150.12 57.1 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.469 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -130.45 -44.26 1.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.898 0.38 . . . . 0.0 110.879 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.5 tptt -40.07 -57.51 1.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.5 tp -53.51 -44.57 69.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.941 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.8 mm100 -49.75 -57.45 7.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.98 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -56.08 -45.22 79.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.7 mt -55.73 -59.91 4.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 47' ' ' ALA . 29.8 mt-10 -42.09 -39.28 1.92 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 47' ' ' ALA . 20.9 mt -76.73 -66.62 0.79 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -40.17 -36.49 0.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 20.1 p -101.0 -17.16 16.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . 57.41 34.52 24.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 63.3 p -109.68 173.69 6.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.5 tppt? -109.29 86.14 2.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 77.3 mt -78.59 120.78 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.122 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -121.27 112.91 19.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.649 HG23 ' HD2' ' A' ' 53' ' ' PRO . 51.8 mt -96.39 138.02 21.54 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.614 0.721 . . . . 0.0 111.12 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.649 ' HD2' HG23 ' A' ' 52' ' ' ILE . 53.3 Cg_endo -69.77 151.7 69.07 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.655 2.237 . . . . 0.0 112.306 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -61.2 155.64 55.0 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.59 0.709 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -9.83 27.1 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.682 2.255 . . . . 0.0 112.332 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -103.21 -21.61 13.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.849 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.427 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.5 t70 -75.82 141.27 71.71 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.614 0.721 . . . . 0.0 110.788 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.6 Cg_endo -69.75 -0.53 7.04 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.715 2.276 . . . . 0.0 112.371 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.497 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 9.0 m -90.02 113.22 24.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 -113.57 25.21 11.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -109.07 122.14 46.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.763 HD12 HD11 ' A' ' 23' ' ' ILE . 46.9 mt -74.67 150.32 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.098 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.463 ' HA ' HG22 ' A' ' 20' ' ' THR . 17.5 tttp -114.25 139.38 49.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.573 ' HB ' HG23 ' A' ' 71' ' ' ILE . 1.0 OUTLIER -136.1 115.2 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.845 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 98.0 m -120.65 150.11 41.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 149.7 -143.87 11.32 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.446 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 57.8 p -80.74 163.88 23.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.853 0.358 . . . . 0.0 111.127 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.2 mmmt -63.56 -24.64 67.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -92.29 -36.78 13.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.19 -55.91 21.09 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.42 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.573 HG23 ' HB ' ' A' ' 64' ' ' ILE . 71.9 mt -54.89 -46.63 75.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.786 0.327 . . . . 0.0 111.14 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -52.42 -46.83 66.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -56.49 -54.13 49.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.35 -35.77 80.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.101 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.408 ' HG3' HD11 ' A' ' 64' ' ' ILE . 7.3 ttm180 -68.16 -41.43 81.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -69.8 -27.92 65.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -82.92 -49.73 9.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.436 HG11 HG11 ' A' ' 21' ' ' VAL . 4.3 p -59.13 -37.18 66.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.5 mt -72.05 -42.2 66.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.6 mt -58.2 -52.48 65.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.93 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 31.6 mt -60.48 -53.12 53.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.8 m -55.2 -36.43 65.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.06 -53.69 41.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.099 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -46.23 -41.36 12.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.505 ' CB ' ' NE2' ' A' ' 27' ' ' HIS . 70.8 mm-40 -57.47 -46.34 83.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.922 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -40.74 -42.41 1.76 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 41.2 tttt -62.75 -50.86 69.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -89.17 89.24 7.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.824 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 32.8 t -158.19 169.63 24.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.811 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 88.23 -178.88 46.47 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.527 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -16.12 37.29 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.712 2.275 . . . . 0.0 112.304 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.0 m -60.7 142.88 55.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.848 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 78.6 p -84.07 136.99 33.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.805 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.8 p -171.63 167.16 6.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.363 . . . . 0.0 110.86 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.5 p -155.85 176.68 12.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.872 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.31 -164.37 10.67 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.405 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 t -158.1 173.41 16.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.964 0.411 . . . . 0.0 110.829 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -143.14 155.24 44.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.798 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.19 100.39 0.29 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.44 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -123.18 90.14 3.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.714 0.293 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.8 mt -95.97 121.17 46.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.6 t -120.82 127.39 75.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.159 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -151.4 171.7 17.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -56.45 111.06 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.85 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.7 mt -141.12 128.21 20.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -73.0 -49.12 30.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 26.4 m -61.22 151.99 30.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -57.18 150.61 17.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -123.16 161.56 24.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.083 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.562 ' HB2' HG23 ' A' ' 65' ' ' THR . 30.1 t -150.41 156.36 41.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -140.96 170.27 16.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.098 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.496 HG22 ' HA ' ' A' ' 63' ' ' LYS . 3.3 p -138.98 155.99 47.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.514 ' O ' HG13 ' A' ' 21' ' ' VAL . 6.1 p -132.64 109.38 14.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.5 ' HB2' ' OE1' ' A' ' 61' ' ' GLN . . . -63.53 115.15 4.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.019 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.853 HD11 HD12 ' A' ' 62' ' ' ILE . 5.4 pt -142.37 155.71 64.25 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.665 0.745 . . . . 0.0 111.106 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.536 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.7 Cg_endo -69.79 137.96 36.59 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.687 2.258 . . . . 0.0 112.273 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.8 mmmm -51.54 -16.48 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.965 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -76.3 -32.46 58.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.536 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 61.4 m170 -87.51 -11.25 49.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -61.68 -43.22 99.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.467 ' HG3' ' N ' ' A' ' 30' ' ' PHE . 14.2 ptm180 -61.87 -37.51 84.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.467 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 24.1 m-85 -62.04 -32.02 72.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.407 ' CG2' HG23 ' A' ' 78' ' ' VAL . 87.0 t -75.63 -33.92 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.156 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 95.7 mt -72.67 -44.89 59.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.081 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.88 157.36 9.77 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.507 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -49.47 -60.11 3.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.742 0.306 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -110.5 6.39 21.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 97.67 63.37 0.89 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -132.88 -36.48 1.04 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.998 0.428 . . . . 0.0 110.892 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.8 -66.31 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.5 tp -44.31 -43.49 7.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.994 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -57.71 -56.63 19.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.913 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -58.45 -41.69 85.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 42' ' ' LEU . 11.8 mt -60.97 -53.12 61.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.486 ' O ' ' N ' ' A' ' 47' ' ' ALA . 23.8 mt-10 -49.7 -40.87 41.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.8 mt -75.33 -65.0 0.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.961 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -44.4 -34.9 2.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 22.1 p -99.99 -18.46 17.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.173 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . 57.96 34.85 24.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.038 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 77.9 p -111.12 172.73 6.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -110.31 83.67 1.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.819 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.43 HD12 ' HG3' ' A' ' 43' ' ' GLU . 43.3 mt -72.21 140.39 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.113 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -136.34 115.91 12.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.493 HG23 ' HD2' ' A' ' 53' ' ' PRO . 50.5 mt -103.56 134.51 19.71 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.64 0.733 . . . . 0.0 111.163 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.493 ' HD2' HG23 ' A' ' 52' ' ' ILE . 54.0 Cg_endo -69.68 154.31 68.22 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.697 2.265 . . . . 0.0 112.41 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.6 mtp85 -64.01 158.73 60.95 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.607 0.718 . . . . 0.0 110.831 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -16.86 37.79 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.732 2.288 . . . . 0.0 112.313 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -95.98 -24.32 16.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.426 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 4.3 t70 -71.74 140.9 84.25 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.555 0.693 . . . . 0.0 110.874 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.426 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.5 Cg_endo -69.8 -1.29 8.26 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.7 2.266 . . . . 0.0 112.34 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.4 m -88.25 121.91 31.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -122.61 24.44 9.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.5 ' OE1' ' HB2' ' A' ' 22' ' ' ALA . 14.1 mt-30 -112.01 120.75 42.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.953 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.853 HD12 HD11 ' A' ' 23' ' ' ILE . 50.8 mt -73.71 149.69 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.158 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.496 ' HA ' HG22 ' A' ' 20' ' ' THR . 22.3 tttt -115.33 139.92 49.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.553 HD12 ' CG2' ' A' ' 71' ' ' ILE . 1.0 OUTLIER -133.32 122.11 43.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 179.872 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.562 HG23 ' HB2' ' A' ' 18' ' ' SER . 3.7 m -120.83 143.97 48.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.166 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 153.71 -143.69 10.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.469 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.3 p -94.2 147.95 22.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.916 0.389 . . . . 0.0 111.12 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -40.24 -35.22 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -76.25 -60.22 2.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -49.0 -56.48 10.04 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.445 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.553 ' CG2' HD12 ' A' ' 64' ' ' ILE . 68.1 mt -53.19 -42.16 45.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.77 0.319 . . . . 0.0 111.102 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -55.54 -58.83 6.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -47.81 -51.21 23.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.955 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.26 -41.54 98.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.044 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.46 ' NH1' HD11 ' A' ' 79' ' ' LEU . 26.5 ttt-85 -67.42 -30.34 70.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -78.03 -31.79 50.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -79.54 -45.45 19.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.407 HG23 ' CG2' ' A' ' 31' ' ' VAL . 9.5 p -63.18 -34.63 67.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.144 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.46 HD11 ' NH1' ' A' ' 75' ' ' ARG . 11.1 mt -76.15 -43.61 42.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.2 mt -58.89 -43.83 91.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 19.1 mt -69.97 -43.53 79.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.1 m -64.89 -38.65 91.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.15 -54.51 36.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -42.25 -48.33 4.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.49 ' CB ' ' NE2' ' A' ' 27' ' ' HIS . 84.0 mm-40 -50.76 -53.36 32.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.928 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -41.66 -50.94 4.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 88' ' ' ARG . 1.3 tmtp? -54.36 -53.04 59.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.981 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 89' ' ' SER . 76.7 mtp180 -37.21 129.24 0.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.786 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 88' ' ' ARG . 13.8 t -36.06 131.62 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 167.15 84.12 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.497 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -0.43 6.86 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.673 2.249 . . . . 0.0 112.398 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.2 m -40.36 158.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.2 m -64.26 143.25 58.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.898 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.432 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.4 m -147.89 135.6 20.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.897 0.38 . . . . 0.0 110.826 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.9 p -162.16 163.52 28.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.813 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.8 123.07 1.52 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.429 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 p -102.11 -35.76 8.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.847 0.356 . . . . 0.0 110.793 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.7 p 46.1 45.17 12.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.839 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.15 73.49 0.28 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.484 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -160.25 147.33 16.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.683 0.278 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.447 ' O ' ' C ' ' A' ' 10' ' ' VAL . 74.4 mt -38.26 129.74 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 9' ' ' ILE . 7.9 p -34.15 139.74 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -153.42 170.22 21.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.052 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.0 mtt180 -144.63 154.54 42.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.869 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.412 ' N ' HD23 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -120.56 170.84 9.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -111.25 -35.26 5.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.974 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.6 p -51.57 174.46 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -80.3 149.43 30.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.538 ' O ' HD11 ' A' ' 71' ' ' ILE . . . -96.33 154.44 17.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.126 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.3 p -147.36 121.33 9.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -116.68 175.73 5.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 p -139.04 153.01 48.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.478 ' CG1' ' HB ' ' A' ' 62' ' ' ILE . 3.9 p -126.41 110.89 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.45 112.45 6.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.091 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 1.008 HD11 HD12 ' A' ' 62' ' ' ILE . 4.3 pt -146.63 156.43 48.69 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.613 0.72 . . . . 0.0 111.13 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.414 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.8 Cg_endo -69.8 140.17 41.86 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.72 2.28 . . . . 0.0 112.29 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.4 mttp -53.62 -15.6 1.24 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.883 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -76.13 -29.99 58.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.491 ' NE2' ' CB ' ' A' ' 85' ' ' GLN . 65.7 m170 -87.09 -15.36 38.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.979 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -57.13 -40.88 78.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -63.5 -36.91 85.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -62.98 -18.06 62.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.0 t -92.92 -17.19 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.13 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.532 HG22 ' HA2' ' A' ' 36' ' ' GLY . 26.0 mt -95.24 -32.23 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.451 ' CA ' ' HB2' ' A' ' 38' ' ' LYS . . . 104.8 168.69 24.35 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.489 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm -71.75 -33.99 69.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.833 0.349 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -110.75 -10.39 14.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.532 ' HA2' HG22 ' A' ' 32' ' ' ILE . . . 99.79 43.76 2.4 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.461 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -119.94 -16.48 8.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.943 0.401 . . . . 0.0 110.943 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.56 ' HE3' HD11 ' A' ' 42' ' ' LEU . 2.8 tmtm? -64.47 -43.86 92.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.8 tp -71.41 -46.8 59.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.474 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 7.5 pt20 -60.56 -46.67 89.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.474 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 6.3 t70 -61.96 -38.86 90.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.56 HD11 ' HE3' ' A' ' 38' ' ' LYS . 11.9 mt -64.95 -56.1 15.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.731 ' HG3' HD12 ' A' ' 50' ' ' ILE . 71.1 mt-10 -52.24 -18.15 1.42 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.4 mt -93.27 -58.03 2.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -49.73 -43.18 47.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 35.5 p -93.47 -19.78 20.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.194 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 62.84 40.08 10.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.094 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 62.1 p -113.38 177.56 4.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.161 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.98 96.05 5.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.828 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.731 HD12 ' HG3' ' A' ' 43' ' ' GLU . 53.7 mt -87.37 128.48 39.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -122.23 104.16 9.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.952 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 38.4 mt -91.51 127.67 49.71 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.582 0.706 . . . . 0.0 111.181 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.497 ' CG ' ' O ' ' A' ' 59' ' ' SER . 54.0 Cg_endo -69.75 152.71 69.41 Favored 'Trans proline' 0 C--O 1.231 0.128 0 C-N-CA 122.653 2.235 . . . . 0.0 112.369 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -61.16 156.07 51.91 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.699 0.761 . . . . 0.0 110.854 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -4.37 13.88 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.733 2.288 . . . . 0.0 112.318 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.33 -7.08 14.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.814 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.428 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.5 t70 -87.01 140.87 32.86 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.633 0.73 . . . . 0.0 110.81 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.5 Cg_endo -69.76 2.81 3.2 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.708 2.272 . . . . 0.0 112.354 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.497 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 42.1 m -96.67 109.22 21.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 -107.52 12.28 27.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -102.01 121.42 42.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 1.008 HD12 HD11 ' A' ' 23' ' ' ILE . 49.6 mt -74.53 152.13 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.078 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.414 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 59.9 tttt -114.06 130.72 56.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.624 ' HB ' HG23 ' A' ' 71' ' ' ILE . 1.1 pt -125.68 120.12 56.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.3 m -124.34 146.29 48.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.158 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.523 ' H ' HD11 ' A' ' 71' ' ' ILE . . . 153.85 -146.57 14.96 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.546 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 69' ' ' GLU . 76.4 p -82.4 139.93 33.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.829 0.347 . . . . 0.0 111.196 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.418 ' HD2' ' C ' ' A' ' 68' ' ' LYS . 5.0 tmmm? -37.09 -30.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.858 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 67' ' ' THR . 23.0 mt-10 -85.49 -45.89 11.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 67' ' ' THR . . . -56.08 -52.96 45.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.448 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.624 HG23 ' HB ' ' A' ' 64' ' ' ILE . 65.9 mt -60.07 -42.8 91.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.766 0.317 . . . . 0.0 111.135 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -56.29 -48.92 75.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -57.4 -53.32 59.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.65 -36.98 80.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.06 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -66.74 -39.81 88.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 56.1 t60 -68.55 -36.76 79.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -73.69 -50.66 19.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.2 p -61.06 -29.26 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.5 mt -81.18 -38.87 26.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.947 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 80' ' ' LEU . 13.8 mt -65.24 -44.95 86.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 45.6 mt -64.11 -58.39 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.0 m -52.89 -39.1 62.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.11 -50.55 72.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.059 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -57.77 -28.63 64.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.491 ' CB ' ' NE2' ' A' ' 27' ' ' HIS . 50.5 mm-40 -64.32 -42.12 96.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -54.54 -14.95 1.45 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 88' ' ' ARG . 2.8 ttpm? -98.97 -70.02 0.74 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 87' ' ' LYS . 4.5 mmp_? 35.4 41.18 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.861 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 43.5 t -105.37 140.01 39.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 68.53 83.63 0.14 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.436 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.66 -32.6 18.66 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.663 2.242 . . . . 0.0 112.379 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 17.4 m -92.84 133.26 36.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.818 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.8 t -101.22 90.05 4.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.488 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 m -126.62 163.39 23.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.825 0.345 . . . . 0.0 110.898 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.8 p -107.69 -53.79 2.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.48 130.21 0.28 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.416 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.8 m -146.9 137.32 23.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.881 0.372 . . . . 0.0 110.86 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -130.75 147.18 52.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.831 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.15 -168.37 18.31 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.464 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.44 166.64 21.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.859 0.361 . . . . 0.0 110.82 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.2 mp -82.99 142.3 13.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.5 t -74.78 107.87 5.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.185 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -141.57 121.06 13.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.13 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 48.9 mtm180 -139.22 111.08 7.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 28.1 mt -69.13 139.87 54.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -164.51 152.7 12.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.5 p -48.89 176.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -74.28 157.96 34.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -117.46 159.67 22.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.117 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.4 p -142.63 128.6 19.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.918 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.46 175.13 6.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.087 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.6 p -138.88 154.09 48.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.21 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.519 ' O ' HG13 ' A' ' 21' ' ' VAL . 4.9 p -129.01 106.87 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.148 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.66 115.15 5.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.035 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.719 HD11 ' CD1' ' A' ' 62' ' ' ILE . 5.5 pt -141.5 156.35 66.83 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.634 0.73 . . . . 0.0 111.133 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.519 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 54.6 Cg_endo -69.78 141.46 45.21 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.611 2.208 . . . . 0.0 112.41 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.402 ' NZ ' ' HG2' ' A' ' 53' ' ' PRO . 5.6 tptt -53.88 -15.1 1.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -78.84 -28.11 44.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.519 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 67.1 m170 -88.52 -19.29 26.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -56.93 -27.1 60.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -85.45 -22.42 28.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -78.85 -13.05 60.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.5 t -96.48 -29.5 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.148 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 16.5 mt -79.15 -33.27 15.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.166 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 34' ' ' LYS . . . 104.4 129.8 6.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.569 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 33' ' ' GLY . 5.6 tmtt? -36.44 -45.36 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.815 0.34 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -98.65 -21.07 16.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 105.79 45.63 1.28 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.47 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -122.02 -16.39 7.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.932 0.396 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.7 tptp -68.61 -29.85 68.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.9 tp -79.63 -48.0 14.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.936 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -63.34 -35.44 80.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -74.32 -31.57 62.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.9 mt -76.26 -52.03 10.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.709 ' HG3' HD12 ' A' ' 50' ' ' ILE . 29.0 mt-10 -51.82 -27.14 11.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 20.5 mt -84.19 -65.77 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -43.6 -33.6 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.409 HG21 ' HB2' ' A' ' 74' ' ' ALA . 18.1 p -100.12 -18.18 17.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.194 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 58.86 37.17 24.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.025 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 63.4 p -112.64 179.1 4.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.179 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -115.05 91.26 3.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.912 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.709 HD12 ' HG3' ' A' ' 43' ' ' GLU . 49.6 mt -80.47 126.92 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.7 tp60 -122.83 112.06 17.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.505 HG23 ' HD2' ' A' ' 53' ' ' PRO . 95.7 mt -101.8 134.35 20.21 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.628 0.728 . . . . 0.0 111.102 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.505 ' HD2' HG23 ' A' ' 52' ' ' ILE . 53.8 Cg_endo -69.79 145.52 57.25 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.651 2.234 . . . . 0.0 112.392 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -49.11 158.84 0.65 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.677 0.751 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -14.61 36.28 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.679 2.253 . . . . 0.0 112.355 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -100.09 -23.32 14.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.421 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 5.5 t70 -69.98 139.88 88.25 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.584 0.707 . . . . 0.0 110.905 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 54.1 Cg_endo -69.82 -0.47 7.02 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.697 2.264 . . . . 0.0 112.314 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.455 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 47.6 m -81.14 120.46 24.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.832 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -120.73 19.34 11.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -110.52 120.5 42.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.719 ' CD1' HD11 ' A' ' 23' ' ' ILE . 43.2 mt -75.05 148.87 7.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -112.71 132.18 55.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.533 ' HB ' HG23 ' A' ' 71' ' ' ILE . 1.1 pt -127.43 116.01 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.173 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.8 m -121.41 140.18 52.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.433 ' H ' HD11 ' A' ' 71' ' ' ILE . . . 158.98 -144.19 10.03 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.434 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 68.2 p -83.07 165.73 19.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.895 0.379 . . . . 0.0 111.111 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -63.74 -25.99 68.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -90.54 -39.44 12.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.73 -53.64 36.74 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.527 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.533 HG23 ' HB ' ' A' ' 64' ' ' ILE . 76.6 mt -56.64 -40.98 72.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 0.0 111.156 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -57.99 -49.48 76.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.8 mttp -54.19 -52.42 61.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.409 ' HB2' HG21 ' A' ' 46' ' ' THR . . . -64.34 -38.33 90.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.4 ttt-85 -64.79 -33.97 77.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.823 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 56.5 t60 -73.44 -39.3 65.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.839 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -71.24 -51.21 25.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.849 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.417 HG11 HG11 ' A' ' 21' ' ' VAL . 5.2 p -56.07 -39.61 59.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.136 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.1 mt -72.88 -42.96 63.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.946 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.3 mt -58.09 -46.15 85.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 36.3 mt -58.47 -56.2 17.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 94.0 p -53.99 -46.1 71.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.813 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.95 -49.28 73.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.065 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -55.49 -32.95 63.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.892 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.503 ' CB ' ' NE2' ' A' ' 27' ' ' HIS . 72.6 mm-40 -66.95 -41.27 87.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -48.81 -54.58 14.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -55.8 -19.13 10.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -91.29 46.36 1.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 66.8 p -98.85 -39.3 8.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -106.84 -158.4 21.41 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.532 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.85 164.14 35.74 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.652 2.235 . . . . 0.0 112.318 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 91.4 p -97.95 167.94 10.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 71.8 m -108.65 128.59 54.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.488 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -117.7 157.56 26.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.916 0.389 . . . . 0.0 110.834 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -152.32 107.96 3.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.867 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.4 -165.44 12.45 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.559 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.8 p -65.42 83.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.908 0.385 . . . . 0.0 110.847 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.4 p -57.05 168.0 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.98 124.35 8.01 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.519 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -154.71 133.28 12.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.799 0.333 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.6 mt -104.51 132.38 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 95.1 t -132.39 117.22 31.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.082 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -143.64 146.25 33.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.038 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -116.6 137.46 52.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.812 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.3 mt -146.78 176.46 9.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -107.69 75.82 1.03 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.9 p -146.4 168.41 21.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -156.18 154.11 30.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.483 ' O ' HD11 ' A' ' 71' ' ' ILE . . . -121.82 167.22 13.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.2 p -146.67 125.43 12.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.816 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.61 172.81 7.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.074 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.526 HG22 ' O ' ' A' ' 62' ' ' ILE . 0.8 OUTLIER -139.06 154.09 48.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.85 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.475 ' CG1' ' HB ' ' A' ' 62' ' ' ILE . 3.3 p -125.71 109.86 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.087 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.69 113.14 6.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.942 HD11 HD12 ' A' ' 62' ' ' ILE . 3.8 pt -146.61 155.26 48.97 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.584 0.707 . . . . 0.0 111.189 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.504 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 54.2 Cg_endo -69.76 142.57 48.28 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.663 2.242 . . . . 0.0 112.446 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.4 mtmm -56.46 -12.98 1.95 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -79.56 -25.11 41.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.504 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 65.4 m170 -89.64 -19.25 25.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -55.9 -36.86 68.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.806 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -61.71 -34.95 76.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -72.82 -10.13 59.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.6 t -102.84 -27.61 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.078 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.521 HG22 ' HA2' ' A' ' 36' ' ' GLY . 22.5 mt -82.93 -36.4 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.423 ' CA ' ' HB2' ' A' ' 38' ' ' LYS . . . 107.85 168.88 21.61 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.522 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.2 tppt? -41.52 -64.02 0.62 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.759 0.314 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -108.53 -29.77 8.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.966 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.521 ' HA2' HG22 ' A' ' 32' ' ' ILE . . . 149.16 46.41 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.48 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -111.38 -46.36 3.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.883 0.373 . . . . 0.0 110.865 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.423 ' HB2' ' CA ' ' A' ' 33' ' ' GLY . 1.7 tmtp? -41.19 -65.51 0.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.7 tp -48.3 -45.16 34.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.942 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -53.75 -52.25 60.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -57.53 -48.04 80.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.4 mt -53.61 -54.17 41.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -48.69 -36.94 17.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 47' ' ' ALA . 11.9 mt -79.46 -66.99 0.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -40.15 -36.25 0.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.425 HG21 ' HB2' ' A' ' 74' ' ' ALA . 22.2 p -101.32 -17.6 16.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.167 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 44' ' ' LEU . . . 59.05 34.5 23.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 74.5 p -111.46 168.26 9.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.154 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.426 ' HD3' ' N ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -102.02 90.02 3.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 73.3 mt -82.45 128.9 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -123.95 111.43 16.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.7 mt -99.82 129.45 28.61 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.564 0.697 . . . . 0.0 111.189 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 144.87 55.36 Favored 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 122.743 2.295 . . . . 0.0 112.387 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.9 mtp180 -52.81 160.36 1.48 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.601 0.715 . . . . 0.0 110.839 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -22.15 32.24 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.593 2.195 . . . . 0.0 112.35 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.2 p30 -90.47 -30.48 17.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.802 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.433 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.5 t70 -62.37 141.15 96.45 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.628 0.728 . . . . 0.0 110.854 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.433 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.8 Cg_endo -69.75 2.99 3.03 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.629 2.22 . . . . 0.0 112.368 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.5 m -91.45 130.68 37.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 -127.78 3.83 6.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -96.3 122.61 39.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.942 HD12 HD11 ' A' ' 23' ' ' ILE . 55.4 mt -78.16 148.46 6.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.3 tttp -111.64 134.42 53.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.609 HD12 ' CG2' ' A' ' 71' ' ' ILE . 1.1 pt -128.81 116.17 39.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.7 m -117.46 143.42 46.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.509 ' H ' HD11 ' A' ' 71' ' ' ILE . . . 153.98 -152.59 24.17 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.608 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 80.1 p -78.07 144.24 36.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.769 0.319 . . . . 0.0 111.162 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -43.79 -23.49 0.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.927 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -89.96 -45.67 9.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -60.31 -52.03 55.17 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.506 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.609 ' CG2' HD12 ' A' ' 64' ' ' ILE . 83.9 mt -56.41 -48.86 79.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.75 0.31 . . . . 0.0 111.116 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -51.25 -52.08 48.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -48.04 -58.17 4.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.425 ' HB2' HG21 ' A' ' 46' ' ' THR . . . -61.91 -34.27 75.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.086 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.847 ' O ' HD12 ' A' ' 79' ' ' LEU . 23.0 ttp180 -67.65 -33.61 75.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 52.2 t60 -76.24 -36.74 58.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.935 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -72.87 -49.71 28.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.44 HG11 HG11 ' A' ' 21' ' ' VAL . 6.5 p -57.21 -34.2 45.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.847 HD12 ' O ' ' A' ' 75' ' ' ARG . 7.4 mt -74.25 -47.16 36.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.423 ' HA ' HD23 ' A' ' 80' ' ' LEU . 11.8 mt -56.04 -48.73 75.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 17.3 mt -58.31 -56.93 13.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 58.0 p -55.25 -48.25 74.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.86 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -48.36 -51.96 23.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.09 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.443 ' CD ' ' HD3' ' A' ' 87' ' ' LYS . 10.2 mm-40 -58.36 -39.13 78.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.951 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.437 ' HB3' ' NE2' ' A' ' 27' ' ' HIS . 79.1 mm-40 -59.29 -28.95 67.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -90.92 -29.84 17.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.827 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.443 ' HD3' ' CD ' ' A' ' 84' ' ' GLU . 10.6 ptmt -74.95 -11.33 60.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.53 -23.0 12.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.2 m -83.34 91.87 7.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.903 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -174.81 -94.59 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.484 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -12.64 33.24 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.747 2.298 . . . . 0.0 112.304 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.3 t -45.45 165.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.806 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 30.5 p -93.83 93.73 8.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.833 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.517 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 m -157.27 139.32 14.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.939 0.4 . . . . 0.0 110.849 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -163.93 107.54 0.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.64 57.63 0.21 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.5 t -99.75 82.11 2.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.903 0.382 . . . . 0.0 110.908 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.1 p -148.31 151.97 36.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.819 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.63 46.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.474 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -81.16 132.66 35.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.812 0.339 . . . . 0.0 110.804 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.5 mm -85.42 136.07 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.4 m -65.5 148.36 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.175 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -146.07 146.66 31.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.067 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -130.83 117.27 19.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.405 HD23 ' H ' ' A' ' 13' ' ' LEU . 1.1 pt? -107.76 142.96 36.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -111.68 -53.98 2.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 21.6 p -70.84 173.79 6.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -111.68 138.56 48.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.445 ' O ' HG23 ' A' ' 65' ' ' THR . . . -112.38 169.51 8.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.2 p -144.75 128.8 17.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.794 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.98 171.03 8.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.123 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -139.1 159.14 42.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.142 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.472 ' CG1' ' HB ' ' A' ' 62' ' ' ILE . 4.1 p -132.32 120.6 43.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.146 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.93 107.17 10.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.077 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.889 HD11 HD12 ' A' ' 62' ' ' ILE . 3.1 pt -139.29 155.47 72.28 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.672 0.749 . . . . 0.0 111.046 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.539 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.8 Cg_endo -69.8 143.78 51.75 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.717 2.278 . . . . 0.0 112.359 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.434 ' HD2' ' CE1' ' A' ' 28' ' ' HIS . 1.2 mmmp? -58.18 -11.56 2.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -83.26 -22.38 33.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.539 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 62.7 m170 -89.94 -28.1 19.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.814 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.434 ' CE1' ' HD2' ' A' ' 25' ' ' LYS . 31.7 m170 -45.78 -46.75 15.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -52.33 -43.87 64.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -61.45 -13.36 19.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.4 t -102.35 -23.32 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 61.2 mt -85.2 -36.79 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.18 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.471 ' CA ' ' HB2' ' A' ' 38' ' ' LYS . . . 111.18 175.82 20.27 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.501 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.7 ttmm -57.31 -58.39 8.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.878 0.371 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -106.69 -28.37 10.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 142.68 54.37 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.491 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.511 ' O ' ' N ' ' A' ' 40' ' ' GLN . 3.0 mt-10 -122.01 -51.07 2.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.882 0.372 . . . . 0.0 110.886 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.471 ' HB2' ' CA ' ' A' ' 33' ' ' GLY . 2.7 tmtp? -35.33 -39.26 0.12 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.4 tp -75.79 -41.92 51.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.511 ' N ' ' O ' ' A' ' 37' ' ' GLU . 5.5 pt20 -63.88 -36.89 85.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -72.79 -40.59 65.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.817 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.427 HD11 ' HE2' ' A' ' 38' ' ' LYS . 12.4 mt -64.08 -49.4 72.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.444 ' HG3' HD12 ' A' ' 50' ' ' ILE . 47.7 mt-10 -54.33 -29.2 47.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.0 mt -84.12 -64.88 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.9 ttpp -45.61 -42.01 10.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.1 p -91.81 -14.36 29.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 54.37 35.83 23.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.113 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 66.0 p -111.89 170.94 7.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.112 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.05 87.76 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.444 HD12 ' HG3' ' A' ' 43' ' ' GLU . 73.4 mt -78.9 130.34 36.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.167 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -130.64 107.63 9.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.469 HG23 ' HD2' ' A' ' 53' ' ' PRO . 37.9 mt -95.1 134.49 24.58 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.62 0.724 . . . . 0.0 111.151 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.469 ' HD2' HG23 ' A' ' 52' ' ' ILE . 53.6 Cg_endo -69.83 143.88 51.92 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.704 2.269 . . . . 0.0 112.27 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 47.6 mtt180 -53.06 159.5 1.91 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.695 0.759 . . . . 0.0 110.771 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 -14.89 36.74 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.692 2.261 . . . . 0.0 112.389 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -97.47 -27.26 14.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.431 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.6 t70 -67.1 141.05 96.15 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.574 0.702 . . . . 0.0 110.925 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.431 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 54.1 Cg_endo -69.77 -4.06 13.27 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.657 2.238 . . . . 0.0 112.358 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.7 m -85.96 125.72 33.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 -121.82 11.83 10.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -100.43 123.75 45.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.889 HD12 HD11 ' A' ' 23' ' ' ILE . 49.6 mt -76.73 148.85 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.064 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -109.61 136.62 48.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.563 ' HB ' HG23 ' A' ' 71' ' ' ILE . 1.1 pt -133.96 120.94 37.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.147 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 17' ' ' ALA . 21.2 m -127.57 142.64 51.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.139 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 155.67 -146.54 14.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.422 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 70' ' ' GLY . 75.8 p -81.54 143.75 31.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.893 0.377 . . . . 0.0 111.128 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 tmmm? -38.46 -35.58 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -80.06 -43.63 21.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 67' ' ' THR . . . -55.85 -60.83 8.2 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.439 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.563 HG23 ' HB ' ' A' ' 64' ' ' ILE . 76.4 mt -52.69 -46.48 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.825 0.345 . . . . 0.0 111.194 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -52.61 -54.99 25.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.9 mttp -47.64 -59.07 3.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.57 -35.6 74.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.132 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.8 ttt180 -68.75 -32.51 72.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.833 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 56.8 t60 -75.58 -33.55 60.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -76.36 -44.84 34.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.421 HG13 ' N ' ' A' ' 79' ' ' LEU . 7.3 p -64.07 -40.72 90.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.14 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.421 ' N ' HG13 ' A' ' 78' ' ' VAL . 13.5 mt -71.11 -41.67 70.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.2 mt -59.16 -48.38 81.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 21.6 mt -59.85 -59.53 3.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.118 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.6 t -48.34 -56.02 9.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -45.62 -54.73 7.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.107 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -49.31 -43.88 43.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.439 ' CB ' ' NE2' ' A' ' 27' ' ' HIS . 58.5 mm-40 -58.27 -45.8 87.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -50.21 -36.27 30.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.3 tptm -95.35 30.67 2.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 89' ' ' SER . 1.6 ptp85 -70.41 -41.04 73.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.423 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 33.9 t -115.83 88.37 2.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -54.83 163.93 3.69 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.437 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -2.98 11.07 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.74 2.294 . . . . 0.0 112.381 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.8 m -39.1 -59.45 1.0 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 63.2 m -89.56 93.15 9.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.25 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.535 -179.892 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.5 p -174.39 118.65 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.331 . . . . 0.0 110.898 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.9 p -162.97 166.2 24.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.26 89.88 1.66 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.562 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.4 m -145.6 107.33 4.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.798 0.333 . . . . 0.0 110.855 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -113.28 155.27 25.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.403 ' C ' ' OD1' ' A' ' 8' ' ' ASP . . . 142.8 163.73 9.85 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.533 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' A' ' 7' ' ' GLY . 2.9 m-20 -155.3 132.81 11.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 0.0 110.86 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.1 mt -77.6 130.9 35.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.096 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.4 m -63.75 150.75 9.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.123 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -103.96 44.44 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.065 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -143.0 160.73 39.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.566 ' H ' HD12 ' A' ' 13' ' ' LEU . 3.3 mp -83.54 105.23 14.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -101.65 136.57 41.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.6 p -48.7 177.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.185 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -101.86 128.71 48.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.46 169.41 10.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.3 p -148.26 120.18 8.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.858 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -115.87 175.01 5.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.062 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 p -139.09 153.84 48.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.149 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.5 ' O ' HG13 ' A' ' 21' ' ' VAL . 5.0 p -128.31 109.83 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.59 113.76 6.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.134 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.835 HD11 HD12 ' A' ' 62' ' ' ILE . 2.8 pt -141.19 155.03 68.32 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.703 0.763 . . . . 0.0 111.066 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.538 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.8 Cg_endo -69.7 147.84 64.13 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.68 2.253 . . . . 0.0 112.396 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.486 ' NZ ' ' ND1' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -61.54 -9.15 5.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -90.85 -12.79 35.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.538 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 54.4 m170 -103.49 -18.79 14.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.828 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.486 ' ND1' ' NZ ' ' A' ' 25' ' ' LYS . 10.2 m170 -54.28 -46.22 72.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -57.44 -43.37 83.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -56.26 -13.6 2.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 40.2 t -97.73 -33.31 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.401 ' C ' ' HB3' ' A' ' 38' ' ' LYS . 56.9 mt -74.46 -39.28 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 114.95 168.6 15.77 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.466 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.9 mmmt -59.12 -49.0 79.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.732 0.301 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -111.51 -20.2 12.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 124.06 47.87 0.23 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -121.37 -22.79 5.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.876 0.369 . . . . 0.0 110.835 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.401 ' HB3' ' C ' ' A' ' 32' ' ' ILE . 39.9 tptt -63.44 -31.67 72.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.1 tp -81.84 -44.23 17.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -63.8 -36.11 82.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -73.91 -36.65 64.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.2 mt -68.48 -53.08 25.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.405 ' HG3' HD12 ' A' ' 50' ' ' ILE . 23.6 mt-10 -51.23 -32.4 23.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 44' ' ' LEU . 16.6 mt -80.33 -62.66 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -46.69 -31.93 3.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.6 p -102.46 -20.75 14.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.232 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 61.52 38.3 15.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 71.0 p -114.68 175.61 5.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.2 tppt? -110.99 87.91 2.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.405 HD12 ' HG3' ' A' ' 43' ' ' GLU . 71.4 mt -77.43 136.19 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.132 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -129.43 114.57 16.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.6 mt -105.32 123.69 38.8 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.598 0.714 . . . . 0.0 111.167 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.496 ' CG ' ' O ' ' A' ' 59' ' ' SER . 53.9 Cg_endo -69.7 142.04 47.1 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.706 2.271 . . . . 0.0 112.381 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 64.4 mtm180 -49.87 158.04 0.96 Allowed Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.631 0.729 . . . . 0.0 110.844 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -14.68 36.38 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.695 2.263 . . . . 0.0 112.296 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -94.52 -25.63 16.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.864 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.429 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 4.9 t70 -69.96 140.57 88.72 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.563 0.697 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.429 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.9 Cg_endo -69.77 2.3 3.66 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.726 2.284 . . . . 0.0 112.374 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.496 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 10.1 m -94.09 114.42 26.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -114.03 20.46 15.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -110.08 120.91 43.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.835 HD12 HD11 ' A' ' 23' ' ' ILE . 53.3 mt -75.02 152.38 6.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.077 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.422 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 35.5 tttt -114.89 132.1 56.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.559 HD12 ' CG2' ' A' ' 71' ' ' ILE . 1.1 pt -127.33 116.72 44.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 47.7 m -120.66 146.51 46.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 152.72 -147.53 17.28 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.463 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 67.6 p -82.23 150.53 27.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.857 0.361 . . . . 0.0 111.165 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? -46.77 -31.51 3.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -83.79 -45.35 13.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -55.68 -59.79 9.95 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.496 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.559 ' CG2' HD12 ' A' ' 64' ' ' ILE . 73.3 mt -52.02 -45.11 40.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 0.0 111.153 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -53.99 -47.83 71.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -58.15 -49.21 77.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.828 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.02 -36.58 84.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.111 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -70.58 -38.82 74.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 53.9 t60 -67.82 -27.11 66.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -83.33 -46.63 12.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.469 HG11 HG11 ' A' ' 21' ' ' VAL . 2.0 p -65.11 -39.93 87.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.433 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 17.3 mt -69.73 -36.6 76.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.05 -49.51 69.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 24.9 mt -60.49 -57.97 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 85.2 p -50.6 -46.17 57.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.62 -51.51 69.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -48.85 -44.25 39.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -59.62 -45.51 91.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -50.19 -47.92 54.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 41.5 tttt -53.9 -42.19 68.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 18.2 mmm-85 -53.23 -43.33 67.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 90.7 p -79.96 122.71 27.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.94 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 128.13 175.49 14.1 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.517 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.88 160.29 50.21 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.682 2.255 . . . . 0.0 112.339 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.4 t -71.44 -53.1 15.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 86.3 p -78.4 134.51 37.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.848 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 179.976 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 3' ' ' SER . 1.4 t -78.78 121.17 24.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.871 0.367 . . . . 0.0 110.832 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 2' ' ' SER . 24.6 m -38.52 -54.24 1.52 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.94 79.77 1.05 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.538 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.8 m -158.21 138.0 12.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.919 0.39 . . . . 0.0 110.833 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.8 p -80.49 170.79 15.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.929 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.85 66.3 0.25 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.501 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -60.52 123.51 17.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.823 0.344 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.2 mm -108.6 130.29 61.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.5 p -168.67 132.15 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.14 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -156.09 165.73 35.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.059 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -80.26 139.83 36.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.1 mt -96.16 114.7 26.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -111.88 -64.84 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.935 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.7 p -79.8 177.17 9.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.172 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 48.8 mm-40 -131.54 133.1 44.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.967 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.7 ' O ' HD11 ' A' ' 71' ' ' ILE . . . -90.61 147.28 23.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.056 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.0 p -139.12 125.62 20.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.792 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.65 -178.85 4.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.106 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 p -139.17 155.64 47.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.573 ' O ' HG13 ' A' ' 21' ' ' VAL . 5.6 p -130.01 94.08 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.093 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.29 112.14 1.03 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.554 HD11 ' CD1' ' A' ' 62' ' ' ILE . 10.9 pt -138.19 155.38 74.28 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.601 0.715 . . . . 0.0 111.123 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.549 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.7 Cg_endo -69.81 150.58 68.11 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.644 2.229 . . . . 0.0 112.39 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -60.86 -9.25 3.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.987 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -90.46 -11.73 39.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.58 ' CD2' ' HG3' ' A' ' 85' ' ' GLN . 62.7 m170 -103.53 -13.43 16.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.779 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -63.74 -37.4 87.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -70.88 -38.37 73.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -61.91 -30.22 70.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.448 HG21 HG23 ' A' ' 78' ' ' VAL . 92.1 t -80.83 -35.87 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.431 ' C ' ' HB3' ' A' ' 38' ' ' LYS . 90.3 mt -72.34 -42.09 65.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.51 148.57 7.9 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.491 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -41.53 -47.39 3.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.789 0.328 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -111.65 -30.84 7.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.401 ' HA2' HG22 ' A' ' 32' ' ' ILE . . . 131.41 47.39 0.12 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.492 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -123.89 -19.89 5.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.939 0.399 . . . . 0.0 110.887 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.431 ' HB3' ' C ' ' A' ' 32' ' ' ILE . 17.6 tptm -62.37 -54.39 41.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.4 tp -51.66 -45.4 63.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -52.06 -59.37 4.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -53.7 -45.87 70.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.6 mt -56.61 -53.73 54.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.835 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 47' ' ' ALA . 20.6 mt-10 -49.1 -41.18 34.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.814 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 47' ' ' ALA . 39.2 mt -74.96 -66.53 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.7 ttpp -40.1 -42.91 1.52 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.412 HG21 ' HB2' ' A' ' 74' ' ' ALA . 24.1 p -92.51 -19.68 21.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 44' ' ' LEU . . . 60.19 34.94 21.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.043 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 76.5 p -111.71 176.45 5.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.117 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.9 mmmt -112.54 85.88 2.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 77.2 mt -74.92 129.35 36.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.064 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -125.56 117.41 23.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 59.3 mt -109.17 130.5 22.66 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.665 0.745 . . . . 0.0 111.097 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.467 ' CB ' ' HB3' ' A' ' 59' ' ' SER . 53.7 Cg_endo -69.8 140.83 43.48 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.716 2.277 . . . . 0.0 112.321 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 53' ' ' PRO . 4.8 mpt_? -36.83 155.66 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.634 0.73 . . . . 0.0 110.846 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -14.32 35.72 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.651 2.234 . . . . 0.0 112.319 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.28 -26.43 15.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.435 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 9.5 t70 -66.21 139.81 96.59 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.574 0.702 . . . . 0.0 110.927 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.435 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.7 Cg_endo -69.76 3.25 2.88 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.723 2.282 . . . . 0.0 112.366 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.467 ' HB3' ' CB ' ' A' ' 53' ' ' PRO . 12.2 t -83.02 124.15 30.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -123.2 18.17 9.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -108.63 117.23 33.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.554 ' CD1' HD11 ' A' ' 23' ' ' ILE . 30.0 mt -75.95 149.19 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -111.77 132.9 54.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.929 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.538 HD12 HG23 ' A' ' 71' ' ' ILE . 1.1 pt -127.08 122.76 60.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 38.0 m -128.62 139.2 52.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.19 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.477 ' H ' HD11 ' A' ' 71' ' ' ILE . . . 157.0 -152.03 23.38 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.493 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 70' ' ' GLY . 69.7 p -80.57 145.81 31.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.847 0.356 . . . . 0.0 111.171 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -38.78 -37.34 0.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -75.23 -44.24 47.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 67' ' ' THR . . . -59.79 -58.96 11.52 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.4 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.7 HD11 ' O ' ' A' ' 17' ' ' ALA . 73.6 mt -55.86 -44.85 79.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 0.0 111.178 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -56.67 -50.09 73.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -55.21 -52.95 61.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.412 ' HB2' HG21 ' A' ' 46' ' ' THR . . . -63.24 -36.9 85.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.091 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.42 ' HA ' HG12 ' A' ' 78' ' ' VAL . 34.8 ttt180 -69.6 -34.29 73.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -74.95 -26.87 59.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -85.62 -46.7 10.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.526 HG13 HG21 ' A' ' 21' ' ' VAL . 9.9 p -62.7 -28.91 45.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 15.0 mt -81.86 -38.5 25.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.6 mt -63.55 -43.18 97.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 27.3 mt -66.66 -52.23 47.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 46.4 p -57.41 -46.45 83.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.03 -56.11 25.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.073 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -43.93 -45.26 7.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.58 ' HG3' ' CD2' ' A' ' 27' ' ' HIS . 55.2 mm-40 -49.96 -51.91 37.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -40.09 -40.8 1.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -74.95 -44.89 45.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.964 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 24.2 mmm-85 -42.71 107.05 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 38.8 t -125.32 156.31 38.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -173.18 -85.4 0.06 OUTLIER Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.476 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.418 ' O ' ' N ' ' A' ' 93' ' ' SER . 53.8 Cg_endo -69.8 -15.28 36.85 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.666 2.244 . . . . 0.0 112.313 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 98.0 p -54.66 88.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.787 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 91' ' ' PRO . 9.3 t -75.68 105.33 6.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.46 -179.987 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.8 p -123.74 148.75 46.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 0.0 110.858 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 t 40.88 42.04 1.37 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.898 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.1 66.35 0.24 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.524 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 m -113.19 160.74 17.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.878 0.371 . . . . 0.0 110.873 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.3 p -106.56 -49.32 3.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.63 -156.63 25.85 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.424 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.7 t70 64.34 40.23 6.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 0.0 110.848 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.632 HD13 ' N ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -49.57 144.01 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.091 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 36.0 m -77.97 -12.7 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.15 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -174.98 154.56 1.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.165 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -74.27 123.67 25.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.5 mt -94.47 -57.4 2.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.933 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 54.57 41.21 32.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.9 m -153.55 147.41 25.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -60.2 152.16 25.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.984 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -120.99 167.64 12.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.199 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m -152.33 137.7 17.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.27 177.06 6.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.136 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -139.18 159.14 42.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.198 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.555 ' O ' HG13 ' A' ' 21' ' ' VAL . 5.7 p -134.53 101.37 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.159 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.25 111.44 2.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.603 HD11 HD12 ' A' ' 62' ' ' ILE . 9.1 pt -140.28 155.55 70.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.705 0.764 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.532 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 54.5 Cg_endo -69.7 145.88 58.84 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.678 2.252 . . . . 0.0 112.367 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.19 -11.41 2.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.919 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -83.14 -21.69 33.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.532 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 66.2 m170 -95.3 -19.61 19.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -56.59 -46.18 80.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -58.96 -35.78 73.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -68.0 -29.18 68.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 66.5 t -78.22 -35.41 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.116 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.417 HG12 ' CD1' ' A' ' 52' ' ' ILE . 73.3 mt -72.55 -44.96 60.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 119.81 147.66 8.03 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.463 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.4 tptt -46.97 -55.08 8.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.359 . . . . 0.0 110.857 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -110.27 11.65 23.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.38 54.39 3.0 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.464 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -129.7 -5.19 4.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.902 0.382 . . . . 0.0 110.916 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.7 tptt -85.53 -43.02 13.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.2 tp -67.54 -49.23 64.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -55.88 -39.94 72.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.985 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -70.04 -45.31 67.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.7 mt -58.82 -52.06 67.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 47' ' ' ALA . 22.3 mt-10 -49.86 -38.22 34.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 25.5 mt -76.64 -64.62 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -44.54 -36.22 2.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.483 HG21 ' HB2' ' A' ' 74' ' ' ALA . 19.6 p -99.01 -16.29 18.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.125 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . 56.85 34.48 24.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.055 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 74.8 p -110.06 174.84 5.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.14 86.11 2.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 78.9 mt -78.71 126.17 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.195 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -123.61 120.16 31.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.417 ' CD1' HG12 ' A' ' 32' ' ' ILE . 56.5 mt -111.17 126.78 28.0 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.591 0.71 . . . . 0.0 111.21 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 143.83 51.96 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.692 2.261 . . . . 0.0 112.335 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -43.64 156.72 0.28 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.528 0.68 . . . . 0.0 110.932 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -8.42 23.57 Favored 'Trans proline' 0 N--CA 1.464 -0.22 0 C-N-CA 122.71 2.273 . . . . 0.0 112.402 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -101.49 -22.43 14.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.424 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.7 t70 -70.58 141.03 87.38 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.579 0.704 . . . . 0.0 110.842 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.5 Cg_endo -69.76 3.04 3.0 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.649 2.233 . . . . 0.0 112.358 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 t -88.43 115.82 26.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -115.84 18.16 15.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -110.85 120.53 42.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.603 HD12 HD11 ' A' ' 23' ' ' ILE . 51.0 mt -77.97 147.9 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.096 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.9 tttp -110.8 130.64 55.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.594 HD12 ' CG2' ' A' ' 71' ' ' ILE . 1.1 pt -124.09 123.32 66.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.2 m -127.25 146.63 50.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 150.05 -150.47 22.53 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.465 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.3 p -77.89 146.31 35.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.878 0.371 . . . . 0.0 111.131 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -40.06 -39.89 0.96 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.4 mp0 -76.57 -43.06 40.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -56.29 -58.19 15.5 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.483 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.594 ' CG2' HD12 ' A' ' 64' ' ' ILE . 80.8 mt -55.09 -52.14 47.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.831 0.348 . . . . 0.0 111.143 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.475 ' CA ' ' OE1' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -50.76 -51.51 49.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.1 mttm -51.87 -54.42 29.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.483 ' HB2' HG21 ' A' ' 46' ' ' THR . . . -63.01 -33.39 75.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.147 179.733 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.568 ' HG3' HD11 ' A' ' 64' ' ' ILE . 11.1 ttt180 -71.54 -34.15 69.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -74.56 -29.8 61.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -82.66 -45.13 14.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.802 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.4 p -64.1 -27.97 43.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.412 HD12 ' O ' ' A' ' 75' ' ' ARG . 13.1 mt -83.52 -42.53 16.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.935 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.5 mt -57.6 -40.03 78.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.6 mt -69.46 -48.41 66.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.2 p -61.51 -42.7 99.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.71 -56.34 20.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.156 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -45.84 -46.7 15.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.526 ' HG3' ' CD2' ' A' ' 27' ' ' HIS . 60.4 mm-40 -49.61 -48.3 49.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -55.74 -43.78 76.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.1 tttm -94.74 30.23 2.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.941 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 89' ' ' SER . 11.0 ptt-85 -54.17 -34.78 61.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.859 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.408 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 3.9 m -131.71 -66.24 0.72 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 101.91 147.91 20.44 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -2.2 9.78 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.597 2.198 . . . . 0.0 112.373 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 20.1 m -129.44 112.0 13.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.839 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 53.3 p -83.12 134.06 35.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.846 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.54 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.7 m -47.7 98.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.925 0.393 . . . . 0.0 110.818 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.5 p -133.49 144.69 49.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.08 47.13 0.52 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.419 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.6 t -166.66 165.91 16.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.864 0.364 . . . . 0.0 110.845 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.3 p -57.23 161.12 3.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.02 128.88 6.41 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -123.74 154.95 38.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.761 0.315 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.575 HD13 ' N ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -53.4 166.61 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.6 t -140.05 106.37 2.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.156 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.52 155.97 13.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.075 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -93.06 99.25 11.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -48.25 164.8 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -126.11 -46.4 1.66 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.1 m -114.95 148.64 38.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -56.69 155.98 6.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.551 ' O ' HD11 ' A' ' 71' ' ' ILE . . . -110.98 160.48 16.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.122 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.1 p -143.65 125.85 15.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -118.35 176.17 5.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.113 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 62' ' ' ILE . 0.8 OUTLIER -139.4 154.69 47.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 -179.897 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.51 ' O ' HG13 ' A' ' 21' ' ' VAL . 4.2 p -128.1 107.51 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.126 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.53 111.92 3.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.847 HD11 HD12 ' A' ' 62' ' ' ILE . 2.8 pt -141.08 156.22 68.22 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 121.591 0.71 . . . . 0.0 111.203 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.543 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 54.0 Cg_endo -69.72 150.92 69.07 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.72 2.28 . . . . 0.0 112.329 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.0 mtmm -67.45 -2.18 5.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -95.21 -21.87 18.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.543 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 58.4 m170 -89.1 -29.37 19.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.809 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -40.65 -47.23 2.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -52.52 -47.05 66.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.422 ' CE1' ' NE2' ' A' ' 85' ' ' GLN . 47.2 m-85 -57.6 -25.09 59.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 41.7 t -83.48 -37.64 13.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 53.0 mt -71.83 -38.88 66.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.216 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.53 177.04 17.46 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.464 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -67.42 -60.56 2.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.792 0.33 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -109.7 11.23 24.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 93.81 53.22 1.82 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -126.37 -29.85 2.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.901 0.381 . . . . 0.0 110.914 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -55.83 -66.71 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.9 tp -48.79 -44.63 39.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -52.27 -56.37 15.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.944 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -59.41 -39.8 84.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.6 mt -60.18 -54.58 44.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.949 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 47' ' ' ALA . 21.4 mt-10 -50.8 -40.18 54.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 28.4 mt -74.23 -65.74 0.81 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -43.63 -40.01 3.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 38.8 p -94.5 -18.99 20.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.207 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . 57.84 33.05 22.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.094 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 81.4 p -109.1 176.16 5.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.081 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.3 mmmt -110.16 89.17 2.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 60.4 mt -84.34 122.11 37.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.134 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -117.54 121.75 41.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 47.3 mt -111.8 123.89 33.63 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.582 0.706 . . . . 0.0 111.161 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 145.7 58.36 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.646 2.231 . . . . 0.0 112.416 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.1 mtp85 -50.28 161.45 0.6 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.646 0.736 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -22.71 31.57 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.671 2.248 . . . . 0.0 112.304 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -89.34 -27.27 20.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.924 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.436 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.4 t70 -62.75 141.43 97.17 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.625 0.726 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.436 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 52.8 Cg_endo -69.81 3.34 2.85 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.656 2.237 . . . . 0.0 112.274 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.8 m -95.76 127.99 42.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.86 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 23' ' ' ILE . 16.2 p-10 -126.41 9.75 7.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.879 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -103.45 122.65 45.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.847 HD12 HD11 ' A' ' 23' ' ' ILE . 45.5 mt -80.2 148.44 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.18 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 46.0 tttt -110.57 133.43 53.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.624 ' HB ' HG23 ' A' ' 71' ' ' ILE . 1.1 pt -127.73 116.7 44.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 39.6 m -123.65 144.42 49.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.445 ' H ' HD11 ' A' ' 71' ' ' ILE . . . 156.25 -145.05 11.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 70' ' ' GLY . 75.9 p -82.45 141.62 32.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.837 0.351 . . . . 0.0 111.161 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.3 tttm -38.06 -34.15 0.11 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -84.5 -41.69 16.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 67' ' ' THR . . . -57.69 -54.37 37.82 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.525 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.624 HG23 ' HB ' ' A' ' 64' ' ' ILE . 72.8 mt -57.44 -52.11 61.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.349 . . . . 0.0 111.151 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -47.96 -52.26 20.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt -50.66 -56.28 12.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.1 -36.68 77.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.09 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.7 ttt180 -67.44 -34.2 76.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 57.6 t60 -74.21 -30.74 62.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -79.13 -45.59 19.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.462 HG11 HG11 ' A' ' 21' ' ' VAL . 3.7 p -63.22 -38.13 81.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.5 mt -71.76 -41.72 68.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.7 mt -58.14 -51.63 68.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 19.8 mt -61.67 -56.27 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 58.9 p -51.34 -46.14 62.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.821 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.12 -54.3 48.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -48.95 -45.4 41.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.422 ' NE2' ' CE1' ' A' ' 30' ' ' PHE . 56.1 mm-40 -61.98 -35.96 80.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -72.65 -22.84 60.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.8 tptp -95.92 29.42 2.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 39.9 mtm180 -85.62 164.55 17.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.91 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.4 t 44.58 40.32 3.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -125.17 -160.64 10.77 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.46 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 132.44 23.25 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.64 2.227 . . . . 0.0 112.389 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.7 p -81.4 43.34 0.73 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.9 t -70.9 142.39 51.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.829 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.226 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.492 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.401 0 N-CA-C 112.576 -0.21 . . . . 0.0 112.576 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 t -133.44 153.12 51.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 110.801 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.6 t -154.47 163.11 40.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.9 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.29 -159.57 8.04 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.488 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.3 m -105.56 136.52 44.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.869 0.366 . . . . 0.0 110.85 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 m -101.22 135.37 42.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.55 67.05 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.537 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -106.18 92.99 4.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.816 0.341 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.2 pt -89.52 153.64 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.515 HG13 ' O ' ' A' ' 10' ' ' VAL . 10.3 p -133.94 119.35 31.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.111 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -160.8 122.79 3.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.0 ttt180 -103.75 162.69 12.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.812 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -131.66 151.03 51.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -85.3 -60.18 2.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.957 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 16' ' ' GLN . 13.1 t -151.24 162.98 39.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.119 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 15' ' ' THR . 45.4 mt-30 -36.29 152.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.444 ' O ' HD11 ' A' ' 71' ' ' ILE . . . -111.11 160.96 16.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.069 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 p -144.94 117.75 8.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.08 169.51 8.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.142 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 p -139.1 153.02 47.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.154 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.462 ' O ' HG13 ' A' ' 21' ' ' VAL . 4.4 p -130.05 113.77 27.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.32 115.01 11.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.862 HD11 HD12 ' A' ' 62' ' ' ILE . 3.8 pt -142.47 157.01 63.44 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.617 0.722 . . . . 0.0 111.155 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.541 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.9 Cg_endo -69.66 144.07 53.41 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.731 2.287 . . . . 0.0 112.352 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.1 tptp -54.13 -14.89 1.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.855 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -78.8 -28.09 44.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.541 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 64.9 m170 -89.58 -13.56 36.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.412 ' ND1' HG23 ' A' ' 52' ' ' ILE . 5.8 m-70 -66.27 -36.05 81.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -73.45 -26.04 60.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -75.39 -21.23 58.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 27' ' ' HIS . 95.8 t -85.54 -35.86 10.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.17 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.412 ' C ' ' HB3' ' A' ' 38' ' ' LYS . 66.1 mt -69.42 -37.76 75.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 113.43 160.05 13.81 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.44 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -58.15 -56.12 26.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.827 0.346 . . . . 0.0 110.957 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -97.24 -8.51 29.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 106.07 46.95 1.12 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.511 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 40' ' ' GLN . 1.9 mm-40 -120.71 -44.18 2.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.852 0.358 . . . . 0.0 110.903 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 37' ' ' GLU . 18.1 tptp -35.96 -33.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 37' ' ' GLU . 9.1 tp -85.28 -40.77 16.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.967 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 37' ' ' GLU . 3.9 pt20 -63.24 -32.97 74.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -79.75 -32.06 41.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.507 HD23 ' NZ ' ' A' ' 45' ' ' LYS . 9.8 mt -71.02 -56.23 6.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -49.35 -28.15 4.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.4 mt -86.36 -64.81 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.507 ' NZ ' HD23 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -45.52 -42.87 11.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.807 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 19.7 p -90.16 -21.64 22.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 63.01 39.63 9.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.164 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 71.5 p -117.34 177.23 4.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -115.07 87.73 2.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 32.4 mt -78.99 126.97 39.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -122.16 113.14 19.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.635 HG23 ' HD2' ' A' ' 53' ' ' PRO . 59.5 mt -97.45 138.29 21.13 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.62 0.724 . . . . 0.0 111.152 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.635 ' HD2' HG23 ' A' ' 52' ' ' ILE . 53.9 Cg_endo -69.76 152.6 69.35 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.643 2.229 . . . . 0.0 112.36 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -63.52 155.62 74.72 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.593 0.711 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.62 -6.91 19.66 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.753 2.302 . . . . 0.0 112.401 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.65 -12.19 14.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.414 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 2.2 t70 -86.13 140.4 34.69 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.606 0.717 . . . . 0.0 110.855 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.414 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 52.7 Cg_endo -69.83 3.11 3.0 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.728 2.285 . . . . 0.0 112.247 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.496 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 6.0 m -91.84 119.37 31.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -120.79 27.61 8.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -112.92 119.56 38.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.947 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.862 HD12 HD11 ' A' ' 23' ' ' ILE . 52.3 mt -74.24 147.69 8.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.03 128.31 56.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.787 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.68 ' HB ' HG23 ' A' ' 71' ' ' ILE . 1.0 OUTLIER -119.07 115.32 47.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.119 179.835 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.7 m -114.09 142.0 46.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.179 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.448 ' H ' HD11 ' A' ' 71' ' ' ILE . . . 153.92 -154.33 25.44 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.526 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 55.5 p -80.08 145.16 32.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.864 0.364 . . . . 0.0 111.154 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.0 tptt -40.53 -36.98 0.64 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -76.91 -45.68 27.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -59.6 -59.61 10.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.562 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.68 HG23 ' HB ' ' A' ' 64' ' ' ILE . 71.9 mt -50.58 -40.54 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.808 0.337 . . . . 0.0 111.121 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -58.08 -51.06 71.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -51.59 -51.02 58.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.55 -36.78 83.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.052 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.451 ' O ' HD12 ' A' ' 79' ' ' LEU . 28.0 ttt180 -65.24 -32.21 73.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -76.36 -45.25 32.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -63.85 -45.09 91.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.3 p -65.68 -36.32 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.171 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.454 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 9.1 mt -74.33 -36.06 63.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.93 -47.83 73.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 50.3 mt -63.17 -57.15 13.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.183 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.5 m -58.33 -34.69 70.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.807 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 79' ' ' LEU . . . -64.76 -46.3 82.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.064 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -54.11 -43.17 70.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.423 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 36.6 mm-40 -57.36 -49.08 77.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -49.36 -40.52 35.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.846 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.8 ttmm -91.38 30.65 1.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.86 -23.66 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.3 t -140.22 134.65 31.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -167.16 168.95 40.71 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.458 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 157.18 61.18 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.673 2.249 . . . . 0.0 112.373 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.6 t -87.22 166.72 14.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 40.8 t -107.06 130.65 54.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.95 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.502 -179.956 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m -166.34 163.47 17.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 0.0 110.859 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.0 p -149.63 165.09 33.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.86 -105.75 0.22 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.455 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m 61.8 48.95 5.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.752 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.8 t -164.37 130.48 2.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.818 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.68 177.53 36.59 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.456 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -118.81 154.74 32.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.704 0.288 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.6 mt -68.11 130.61 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 92.7 t -126.93 121.05 57.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.64 89.99 0.74 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.088 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -115.12 155.55 26.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.6 mt -79.55 110.16 14.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -133.43 150.56 51.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.9 p -73.37 -177.19 2.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.165 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -48.99 153.46 0.88 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.404 ' O ' HG23 ' A' ' 65' ' ' THR . . . -117.66 155.32 30.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.076 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 p -146.72 121.66 10.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.839 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -118.32 172.9 7.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.078 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.1 p -139.06 155.57 47.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.481 HG13 ' HB ' ' A' ' 62' ' ' ILE . 2.6 p -131.29 105.25 10.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.091 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.441 ' HB2' ' OE1' ' A' ' 61' ' ' GLN . . . -65.79 116.76 7.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.698 HD11 HD12 ' A' ' 62' ' ' ILE . 5.9 pt -144.93 156.01 55.43 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.643 0.735 . . . . 0.0 111.065 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.552 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 54.1 Cg_endo -69.76 150.11 67.78 Favored 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.74 2.294 . . . . 0.0 112.379 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.407 ' HE2' ' CE1' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -61.66 -9.96 7.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.915 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.453 ' CG ' ' HB2' ' A' ' 24' ' ' PRO . 0.9 OUTLIER -88.97 -12.48 41.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.575 ' CE1' ' HB2' ' A' ' 85' ' ' GLN . 62.8 m170 -104.42 -13.15 16.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.407 ' CE1' ' HE2' ' A' ' 25' ' ' LYS . 14.9 m170 -62.45 -46.94 86.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.862 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.447 ' HG3' ' N ' ' A' ' 30' ' ' PHE . 7.7 ptp180 -58.39 -39.07 78.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.447 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 15.0 m-85 -60.18 -28.17 67.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.4 HG21 HG23 ' A' ' 78' ' ' VAL . 87.4 t -85.3 -27.74 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.062 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.457 HG12 ' CD1' ' A' ' 52' ' ' ILE . 97.6 mt -79.49 -47.29 22.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 34' ' ' LYS . . . 122.96 140.25 5.66 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 33' ' ' GLY . 12.2 ptmt -35.38 -47.33 0.42 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.787 0.327 . . . . 0.0 110.895 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -111.23 -31.45 7.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.44 42.14 0.2 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.547 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -111.59 -37.94 5.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.947 0.403 . . . . 0.0 110.885 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.413 ' HE3' HD11 ' A' ' 42' ' ' LEU . 49.7 tptt -47.77 -66.87 0.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 tp -40.89 -46.21 2.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.879 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -54.91 -59.57 4.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -51.5 -40.27 59.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.422 ' O ' HG23 ' A' ' 46' ' ' THR . 12.8 mt -64.91 -52.9 53.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 47' ' ' ALA . 24.7 mt-10 -50.46 -37.04 36.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.8 mt -78.94 -61.93 1.86 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -48.8 -30.88 6.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.427 HG21 ' HB2' ' A' ' 74' ' ' ALA . 10.4 p -104.35 -15.65 15.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . 54.57 33.92 20.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 71.6 p -110.53 172.71 6.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.12 82.04 1.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.932 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 67.2 mt -71.74 126.36 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.7 tp60 -124.59 115.22 20.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.474 HG23 ' HD2' ' A' ' 53' ' ' PRO . 33.2 mt -102.75 134.4 19.89 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.598 0.714 . . . . 0.0 111.172 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.474 ' HD2' HG23 ' A' ' 52' ' ' ILE . 55.2 Cg_endo -69.68 145.52 57.88 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.705 2.27 . . . . 0.0 112.404 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 48.1 mtt-85 -51.8 157.92 1.82 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.547 0.689 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -13.69 34.99 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.642 2.228 . . . . 0.0 112.313 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.58 -24.0 14.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.434 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 4.3 t70 -64.85 141.29 98.31 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.57 0.7 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.434 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.8 Cg_endo -69.79 -1.15 8.01 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.687 2.258 . . . . 0.0 112.312 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.3 m -96.46 124.03 40.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -120.86 24.76 10.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.441 ' OE1' ' HB2' ' A' ' 22' ' ' ALA . 33.0 mt-30 -109.29 124.91 51.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.698 HD12 HD11 ' A' ' 23' ' ' ILE . 53.5 mt -77.71 148.37 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.195 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -112.29 133.86 54.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.585 ' HB ' HG23 ' A' ' 71' ' ' ILE . 1.1 pt -128.55 119.21 49.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 17' ' ' ALA . 30.6 m -127.9 143.43 51.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.475 ' H ' HD11 ' A' ' 71' ' ' ILE . . . 158.0 -136.26 4.72 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.507 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 37.4 p -86.89 170.55 11.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.847 0.356 . . . . 0.0 111.181 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp -69.25 -25.5 64.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -93.76 -35.9 12.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.5 -52.87 35.79 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.503 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.585 HG23 ' HB ' ' A' ' 64' ' ' ILE . 72.3 mt -58.02 -47.26 87.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 0.0 111.177 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -53.19 -45.53 68.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -58.31 -52.64 64.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.427 ' HB2' HG21 ' A' ' 46' ' ' THR . . . -63.62 -34.73 78.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.412 ' HA ' HG12 ' A' ' 78' ' ' VAL . 22.4 ttp85 -69.95 -35.59 74.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 56.3 t60 -73.69 -33.61 64.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -77.66 -44.62 27.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.412 HG12 ' HA ' ' A' ' 75' ' ' ARG . 9.4 p -65.5 -31.25 53.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.7 mt -79.97 -40.56 27.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.3 mt -60.98 -41.58 96.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 24.6 mt -66.94 -51.82 50.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 63.4 p -57.45 -45.14 85.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.65 -52.02 63.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -48.27 -46.49 35.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.575 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 73.0 mm-40 -56.05 -52.28 64.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -41.86 -46.78 4.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -67.14 -43.96 81.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.948 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -63.69 131.48 48.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.7 m -139.27 109.8 6.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 134.64 86.2 0.24 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.524 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.73 -26.1 28.04 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.714 2.276 . . . . 0.0 112.321 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 84.6 p -42.41 -47.43 4.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 50.1 m -71.58 131.14 42.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.506 179.984 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -137.87 144.8 41.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.91 0.386 . . . . 0.0 110.849 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.7 p -164.51 161.58 21.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.871 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.57 151.37 21.55 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.524 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.1 m -154.62 120.25 5.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.821 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -120.53 152.6 37.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.36 77.66 0.16 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -111.14 114.6 27.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.752 0.31 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.62 HG22 ' O ' ' A' ' 9' ' ' ILE . 11.2 mt 60.49 40.42 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.434 ' O ' HG12 ' A' ' 10' ' ' VAL . 40.3 t -90.0 -11.64 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.146 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -146.02 130.21 17.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.1 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 31.6 ttp180 -114.89 107.33 15.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.4 mt -125.13 103.01 7.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.974 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.5 tp60 -46.86 -45.37 20.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 56.3 p -60.02 174.99 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -130.32 162.42 29.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -104.85 161.11 14.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.1 p -146.26 132.39 19.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.905 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.07 172.4 11.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.483 HG22 ' O ' ' A' ' 62' ' ' ILE . 1.2 p -139.18 155.47 47.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.467 ' O ' HG13 ' A' ' 21' ' ' VAL . 3.6 p -128.62 110.38 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.53 112.27 4.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.841 HD11 HD12 ' A' ' 62' ' ' ILE . 3.5 pt -140.37 156.54 69.65 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.64 0.733 . . . . 0.0 111.109 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.536 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 54.0 Cg_endo -69.74 149.9 67.62 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.685 2.257 . . . . 0.0 112.375 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -65.0 -6.01 7.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.473 ' CG ' ' HB2' ' A' ' 24' ' ' PRO . 1.3 pt-20 -92.53 -16.81 25.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.567 ' CE1' ' HB2' ' A' ' 85' ' ' GLN . 63.1 m170 -100.28 -14.36 18.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 5.8 m170 -58.36 -51.92 67.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -48.64 -47.09 40.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -53.71 -26.27 22.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.6 t -80.94 -37.6 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.153 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -68.59 -43.66 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.05 172.81 14.56 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.475 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -59.01 -63.36 1.33 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.753 0.311 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -110.78 11.27 22.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 94.14 49.46 2.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.478 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -122.74 -25.69 4.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.933 0.397 . . . . 0.0 110.896 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.411 ' NZ ' HD11 ' A' ' 81' ' ' ILE . 23.7 tptm -62.28 -66.69 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.6 tp -42.95 -48.11 5.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -52.17 -56.72 12.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -54.77 -47.22 74.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.407 ' CD1' ' HE2' ' A' ' 38' ' ' LYS . 12.3 mt -56.58 -52.27 65.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -50.25 -40.08 46.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 47' ' ' ALA . 30.6 mt -76.9 -67.01 0.75 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -42.51 -40.01 2.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.8 p -94.06 -16.48 23.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 44' ' ' LEU . . . 54.91 42.28 31.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 75.7 p -118.04 175.58 5.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.07 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -110.76 87.73 2.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 68.3 mt -82.37 115.15 24.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.144 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -112.81 113.03 24.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.576 HG23 ' HD2' ' A' ' 53' ' ' PRO . 82.6 mt -100.84 136.22 19.86 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.629 0.728 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.576 ' HD2' HG23 ' A' ' 52' ' ' ILE . 53.7 Cg_endo -69.76 158.9 55.37 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.327 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -64.55 158.44 67.18 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.626 0.727 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -4.94 15.01 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.678 2.252 . . . . 0.0 112.375 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -117.67 -10.11 10.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.421 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.6 t70 -76.02 140.84 70.48 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.608 0.718 . . . . 0.0 110.855 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.2 Cg_endo -69.78 1.04 4.81 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.647 2.231 . . . . 0.0 112.319 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.2 m -93.38 122.14 35.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 -119.12 17.34 13.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -107.78 120.24 41.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.841 HD12 HD11 ' A' ' 23' ' ' ILE . 42.2 mt -76.25 151.41 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.08 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.414 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 1.8 ttmp? -113.29 136.63 52.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.481 ' HB ' HG23 ' A' ' 71' ' ' ILE . 1.1 pt -131.66 122.18 49.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.084 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.1 m -127.47 144.74 51.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.129 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 151.78 -154.69 25.71 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.446 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 70' ' ' GLY . 1.0 OUTLIER -76.5 143.36 40.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.829 0.347 . . . . 0.0 111.203 -179.871 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -41.58 -31.4 0.27 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -80.79 -38.67 28.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 67' ' ' THR . . . -67.09 -53.59 25.53 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.483 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.481 HG23 ' HB ' ' A' ' 64' ' ' ILE . 69.4 mt -57.23 -41.36 77.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.797 0.332 . . . . 0.0 111.074 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -57.02 -50.24 73.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -53.81 -57.15 11.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.25 -37.05 76.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.0 ttt-85 -67.33 -38.43 84.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 22.6 t60 -71.66 -31.89 67.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.798 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -78.3 -49.13 14.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.436 HG11 HG11 ' A' ' 21' ' ' VAL . 5.3 p -60.46 -35.17 61.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.5 mt -75.57 -40.03 57.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.8 mt -63.4 -40.69 97.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.97 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.411 HD11 ' NZ ' ' A' ' 38' ' ' LYS . 54.7 mt -66.5 -55.5 18.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 90.2 p -54.64 -44.7 73.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.18 -55.73 30.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.079 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -42.96 -47.27 5.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.567 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 70.9 mm-40 -55.31 -50.11 70.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.94 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -54.96 -49.35 71.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.06 -53.54 55.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.435 ' NH1' ' HB3' ' A' ' 88' ' ' ARG . 15.5 mtp-105 -73.43 124.58 26.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 64.9 p -138.11 116.67 12.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 70.81 -113.79 4.97 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.407 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 144.49 54.19 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.258 . . . . 0.0 112.351 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 87.1 p -84.82 106.66 16.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 62.6 p -111.8 96.01 5.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.512 179.968 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.755 0.312 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 m -146.52 130.37 17.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.16 175.84 5.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.163 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.556 HG22 ' O ' ' A' ' 62' ' ' ILE . 0.8 OUTLIER -139.13 159.48 42.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.159 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.497 HG13 ' O ' ' A' ' 21' ' ' VAL . 4.3 p -133.08 109.52 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.99 109.74 5.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.163 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.812 HD11 HD12 ' A' ' 62' ' ' ILE . 2.7 pt -141.36 157.14 66.72 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.68 0.753 . . . . 0.0 111.091 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.505 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 54.2 Cg_endo -69.69 141.32 45.18 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.705 2.27 . . . . 0.0 112.37 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.4 mtmm -57.01 -12.05 1.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -81.53 -22.24 38.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.505 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 66.1 m170 -93.55 -22.97 18.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.437 ' ND1' HG23 ' A' ' 52' ' ' ILE . 8.2 m170 -49.58 -34.87 18.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.823 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -69.0 -41.22 78.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -62.66 -11.35 16.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.918 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 41.8 t -100.69 -27.14 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.069 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 81.5 mt -82.64 -40.96 17.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.08 164.06 13.29 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.46 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.1 ptpt -51.4 -52.28 47.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.79 0.329 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -110.81 -25.39 9.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 133.68 47.52 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.542 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -114.34 -37.01 4.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.958 0.409 . . . . 0.0 110.961 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.53 -65.66 0.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 tp -46.0 -45.58 15.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -53.42 -58.28 7.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.896 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -52.76 -43.17 65.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.5 mt -61.69 -55.6 28.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -48.78 -37.72 19.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.3 mt -78.61 -66.6 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -42.07 -40.57 2.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.9 p -94.39 -17.89 22.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.188 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 57.39 33.31 23.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.08 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 66.9 p -108.24 174.79 5.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -108.85 82.05 1.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 89.4 mt -71.23 137.86 22.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.142 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -135.72 113.7 11.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.84 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.505 HG23 ' HD2' ' A' ' 53' ' ' PRO . 53.4 mt -103.57 135.31 19.39 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.667 0.746 . . . . 0.0 111.045 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.505 ' HD2' HG23 ' A' ' 52' ' ' ILE . 53.3 Cg_endo -69.83 156.13 63.95 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.628 2.219 . . . . 0.0 112.354 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -60.81 156.16 47.75 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.543 0.687 . . . . 0.0 110.92 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -2.49 10.24 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.729 2.286 . . . . 0.0 112.273 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -116.26 -8.46 11.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.437 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 2.1 t70 -82.27 141.3 46.02 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.566 0.698 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.437 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.5 Cg_endo -69.73 3.38 2.79 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.666 2.244 . . . . 0.0 112.355 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.484 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 24.0 m -94.81 115.98 28.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.825 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 -112.34 12.26 20.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -103.97 123.11 46.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.812 HD12 HD11 ' A' ' 23' ' ' ILE . 53.0 mt -78.56 154.68 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.453 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 33.7 ttmt -115.75 131.48 56.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.577 ' HB ' HG23 ' A' ' 71' ' ' ILE . 1.1 pt -127.37 120.3 54.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 50.9 m -122.98 145.88 48.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.414 ' H ' HD11 ' A' ' 71' ' ' ILE . . . 152.05 -150.24 22.07 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.497 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 76.9 p -79.2 143.99 34.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 0.0 111.21 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? -40.9 -39.21 1.09 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -76.12 -42.28 47.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -59.58 -60.51 8.63 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.512 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.577 HG23 ' HB ' ' A' ' 64' ' ' ILE . 72.9 mt -51.78 -39.06 23.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.735 0.303 . . . . 0.0 111.111 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -60.19 -49.24 78.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.838 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -55.95 -44.01 78.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.22 -38.25 72.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.417 ' HA ' HG12 ' A' ' 78' ' ' VAL . 2.2 ttp-105 -69.03 -33.41 73.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -75.07 -32.62 61.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -80.02 -48.42 13.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.417 HG12 ' HA ' ' A' ' 75' ' ' ARG . 9.7 p -59.06 -33.42 50.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.7 mt -78.2 -45.96 21.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.8 mt -54.12 -42.07 69.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 19.4 mt -70.66 -52.86 25.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.181 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.3 m -58.1 -32.39 68.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.7 -51.23 43.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.081 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -47.75 -42.91 26.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.428 ' HB2' ' NE2' ' A' ' 27' ' ' HIS . 70.0 mm-40 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.535 ' O ' HG23 ' A' ' 65' ' ' THR . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.772 0.32 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.2 p -148.98 131.86 16.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.47 175.74 7.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.119 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.427 HG23 ' HD2' ' A' ' 63' ' ' LYS . 3.4 p -139.18 151.47 46.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.181 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.562 HG11 HG11 ' A' ' 78' ' ' VAL . 4.7 p -126.31 102.27 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.2 114.02 2.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.638 HD11 HD12 ' A' ' 62' ' ' ILE . 8.6 pt -140.96 155.49 68.85 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.656 0.741 . . . . 0.0 111.112 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.536 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.9 Cg_endo -69.76 146.19 59.46 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.648 2.232 . . . . 0.0 112.398 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.2 tptp -57.25 -12.25 2.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -81.42 -22.99 37.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.847 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.572 ' CD2' ' HG3' ' A' ' 85' ' ' GLN . 62.0 m170 -91.43 -30.92 16.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -47.62 -44.88 27.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 29' ' ' ARG . 4.6 ptp180 -63.06 -40.11 96.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -62.6 -30.06 71.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.436 HG21 HG23 ' A' ' 78' ' ' VAL . 97.6 t -78.23 -37.9 22.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.423 ' C ' ' HB3' ' A' ' 38' ' ' LYS . 77.5 mt -71.0 -39.34 74.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 34' ' ' LYS . . . 113.3 140.85 7.8 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 33' ' ' GLY . 22.5 tttt -34.73 -48.05 0.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.739 0.304 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -110.53 -31.04 7.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 132.32 46.3 0.12 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -120.86 -6.24 9.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.907 0.384 . . . . 0.0 110.901 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.423 ' HB3' ' C ' ' A' ' 32' ' ' ILE . 14.2 tptp -84.31 -24.8 29.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.658 HD11 ' OE2' ' A' ' 43' ' ' GLU . 7.6 tp -85.7 -46.86 10.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.401 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 6.0 pt20 -60.86 -42.75 98.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.972 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.401 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 4.3 t70 -66.44 -39.68 89.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.18 -54.37 30.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.658 ' OE2' HD11 ' A' ' 39' ' ' LEU . 30.1 mt-10 -48.2 -28.48 3.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.4 mt -88.29 -60.85 1.85 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -47.54 -34.73 7.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.7 p -99.45 -20.58 16.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.165 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 61.94 35.33 16.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.046 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 74.9 p -115.17 179.24 4.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -111.12 99.43 8.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.445 HD12 ' HG3' ' A' ' 43' ' ' GLU . 80.1 mt -88.25 116.07 29.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.158 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -115.15 107.82 15.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.64 HG23 ' HD2' ' A' ' 53' ' ' PRO . 53.9 mt -98.55 138.34 20.76 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.652 0.739 . . . . 0.0 111.087 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.64 ' HD2' HG23 ' A' ' 52' ' ' ILE . 54.1 Cg_endo -69.77 157.2 61.18 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.687 2.258 . . . . 0.0 112.41 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 38.8 mtt-85 -53.68 160.27 2.12 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.61 0.719 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.89 -7.64 21.6 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.653 2.235 . . . . 0.0 112.267 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -126.95 19.17 7.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.422 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 2.6 t70 -92.33 141.07 24.5 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.597 0.713 . . . . 0.0 110.825 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.422 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.8 Cg_endo -69.81 1.81 4.13 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.673 2.249 . . . . 0.0 112.335 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.7 m -101.98 120.47 40.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -115.85 28.07 8.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -114.41 118.0 32.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.638 HD12 HD11 ' A' ' 23' ' ' ILE . 40.4 mt -74.66 149.25 7.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.427 ' HD2' HG23 ' A' ' 20' ' ' THR . 6.7 tptm -110.84 136.3 50.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.897 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.532 HD12 HG23 ' A' ' 71' ' ' ILE . 1.0 OUTLIER -131.0 124.02 55.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.184 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.535 HG23 ' O ' ' A' ' 17' ' ' ALA . 33.5 m -129.85 142.35 50.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.175 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 154.77 -150.67 22.28 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.485 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 p -76.78 143.33 39.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.838 0.352 . . . . 0.0 111.166 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -41.08 -34.44 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.856 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -79.91 -44.86 19.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -57.04 -53.83 41.58 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.532 HG23 HD12 ' A' ' 64' ' ' ILE . 76.5 mt -56.39 -42.12 73.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 111.178 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -58.37 -46.71 85.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -56.27 -51.83 66.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.837 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.15 -37.07 84.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.107 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -69.65 -30.84 68.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 59.6 t60 -76.77 -30.83 56.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -81.15 -46.22 15.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.562 HG11 HG11 ' A' ' 21' ' ' VAL . 8.4 p -62.65 -31.95 53.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.075 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 15.7 mt -79.88 -41.49 26.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.0 mt -59.37 -41.12 88.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.92 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 22.1 mt -68.47 -50.94 51.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.198 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 24.1 p -57.91 -41.86 83.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.1 -54.06 51.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -46.29 -46.95 18.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.572 ' HG3' ' CD2' ' A' ' 27' ' ' HIS . 51.9 mm-40 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.959 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.842 0.353 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.2 p -147.26 123.8 11.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.31 170.13 10.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.02 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.529 HG22 ' O ' ' A' ' 62' ' ' ILE . 1.2 p -139.13 148.26 43.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.183 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.643 HG11 HG11 ' A' ' 78' ' ' VAL . 5.3 p -123.79 106.94 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.73 117.6 7.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.721 HD11 HD12 ' A' ' 62' ' ' ILE . 5.3 pt -144.39 156.65 57.12 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.626 0.727 . . . . 0.0 111.133 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.536 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 54.0 Cg_endo -69.74 151.27 69.14 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.725 2.283 . . . . 0.0 112.319 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.2 tptp -58.46 -17.82 23.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.522 ' HG3' ' CD2' ' A' ' 27' ' ' HIS . 2.5 pt-20 -78.52 -21.15 49.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.536 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 66.6 m170 -95.07 -11.52 28.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -70.42 -33.03 70.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.403 ' HB3' ' NH1' ' A' ' 29' ' ' ARG . 1.1 ptp180 -76.85 -28.87 55.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -74.11 -9.3 58.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 27' ' ' HIS . 62.8 t -103.02 -26.03 3.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.412 HG22 ' HA2' ' A' ' 36' ' ' GLY . 59.8 mt -83.76 -39.67 15.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.49 160.84 11.87 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.482 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 35' ' ' ASN . 27.3 pttt -55.11 -44.88 75.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.686 0.279 . . . . 0.0 110.837 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.411 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 48.3 m-20 -111.07 -26.88 9.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.412 ' HA2' HG22 ' A' ' 32' ' ' ILE . . . 127.1 50.42 0.16 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.486 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -123.37 -24.83 4.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.958 0.408 . . . . 0.0 110.928 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -56.27 -55.4 33.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.405 HD11 ' HB ' ' A' ' 50' ' ' ILE . 8.7 tp -54.16 -42.82 70.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -55.05 -62.21 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -49.06 -36.43 18.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.4 mt -67.95 -56.41 9.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -49.05 -25.53 2.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.6 mt -89.0 -63.98 1.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -46.25 -37.46 7.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.423 HG21 ' HB2' ' A' ' 74' ' ' ALA . 14.4 p -97.7 -15.61 20.3 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.128 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 54.88 33.08 19.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.077 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 64.0 p -108.51 173.99 6.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.152 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -110.07 82.67 1.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.405 ' HB ' HD11 ' A' ' 39' ' ' LEU . 67.8 mt -72.2 135.59 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -131.92 107.71 8.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.627 HG23 ' HD2' ' A' ' 53' ' ' PRO . 43.6 mt -96.77 138.13 21.38 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.578 0.704 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.627 ' HD2' HG23 ' A' ' 52' ' ' ILE . 53.2 Cg_endo -69.87 160.3 50.18 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.641 2.227 . . . . 0.0 112.331 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -72.8 156.85 89.56 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.592 0.711 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -15.63 37.12 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.655 2.236 . . . . 0.0 112.33 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -95.06 -16.43 22.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.844 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.429 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 2.5 t70 -87.52 140.62 31.87 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.617 0.722 . . . . 0.0 110.883 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.429 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 54.4 Cg_endo -69.68 3.12 2.92 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 2.262 . . . . 0.0 112.377 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.5 m -88.54 123.15 32.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -126.06 26.97 6.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -109.77 118.53 36.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.961 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.721 HD12 HD11 ' A' ' 23' ' ' ILE . 46.6 mt -73.95 148.33 8.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.977 0.418 . . . . 0.0 111.115 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.427 ' HA ' HG22 ' A' ' 20' ' ' THR . 19.5 tttt -115.71 134.93 54.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.945 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.7 HD12 ' CG2' ' A' ' 71' ' ' ILE . 1.1 pt -127.84 126.89 67.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.136 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.6 m -129.29 138.33 51.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 157.59 -152.91 24.18 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.427 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 62.8 p -81.42 144.11 31.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.883 0.373 . . . . 0.0 111.185 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -40.68 -34.36 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -77.28 -44.03 31.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -61.93 -58.31 13.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.517 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.7 ' CG2' HD12 ' A' ' 64' ' ' ILE . 68.2 mt -51.59 -41.86 28.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.797 0.332 . . . . 0.0 111.141 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -54.34 -48.94 70.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -54.74 -56.77 15.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.004 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.423 ' HB2' HG21 ' A' ' 46' ' ' THR . . . -60.26 -37.09 79.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.047 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.8 ttp85 -68.58 -36.56 78.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -70.26 -28.82 65.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -82.84 -50.15 8.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.643 HG11 HG11 ' A' ' 21' ' ' VAL . 5.1 p -60.08 -29.97 44.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.188 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.8 mt -81.74 -35.45 29.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.7 mt -66.83 -46.55 74.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 40.9 mt -58.54 -58.76 5.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.178 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 64.1 p -52.82 -49.53 65.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -47.73 -54.7 11.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.082 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -50.77 -44.18 58.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.531 ' CB ' ' NE2' ' A' ' 27' ' ' HIS . 43.3 mm-40 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.91 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.808 0.337 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.6 p -149.66 124.41 9.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.844 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -123.8 169.68 11.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.106 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.451 HG22 ' O ' ' A' ' 62' ' ' ILE . 1.8 p -139.05 160.55 39.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.45 HG11 HG11 ' A' ' 78' ' ' VAL . 2.7 p -134.19 111.85 15.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.01 112.2 5.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.103 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.764 HD11 HD12 ' A' ' 62' ' ' ILE . 5.8 pt -142.21 156.4 64.52 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.643 0.735 . . . . 0.0 111.14 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 140.76 43.37 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.645 2.23 . . . . 0.0 112.357 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.4 mmmm -53.57 -15.27 1.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.438 ' O ' ' NH1' ' A' ' 29' ' ' ARG . 2.9 pt-20 -75.63 -29.22 59.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.51 ' CE1' ' HB2' ' A' ' 85' ' ' GLN . 64.7 m170 -91.45 -9.76 43.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.777 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -64.86 -38.58 91.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.438 ' NH1' ' O ' ' A' ' 26' ' ' GLU . 3.5 ptp85 -73.01 -30.04 63.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -68.64 -19.71 64.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 88.9 t -93.18 -33.12 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.422 ' C ' ' HB3' ' A' ' 38' ' ' LYS . 92.3 mt -71.38 -43.24 73.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 34' ' ' LYS . . . 124.46 140.33 5.49 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.52 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 33' ' ' GLY . 44.5 tttm -37.93 -45.42 0.87 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.839 0.352 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -111.34 -28.73 8.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.2 44.02 0.26 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.441 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -126.06 -6.86 6.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.913 0.387 . . . . 0.0 110.879 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.422 ' HB3' ' C ' ' A' ' 32' ' ' ILE . 21.9 tptm -75.2 -48.63 22.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.7 tp -57.42 -46.77 83.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -49.28 -61.24 2.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -48.05 -43.36 30.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.1 mt -61.71 -53.45 55.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -49.07 -32.94 10.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 47' ' ' ALA . 28.4 mt -83.62 -66.9 0.84 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -40.11 -36.67 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 29.2 p -100.6 -16.52 17.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.167 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' LEU . . . 57.43 35.42 25.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 64.3 p -110.04 175.97 5.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.182 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -113.1 77.15 1.02 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 70.6 mt -66.61 126.48 26.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -123.73 114.95 20.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.637 HG23 ' HD2' ' A' ' 53' ' ' PRO . 38.0 mt -102.24 138.25 19.67 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.686 0.755 . . . . 0.0 111.122 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.637 ' HD2' HG23 ' A' ' 52' ' ' ILE . 53.4 Cg_endo -69.81 154.92 66.98 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.714 2.276 . . . . 0.0 112.318 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 35.2 mtp180 -67.53 158.8 81.27 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.559 0.695 . . . . 0.0 110.943 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -19.0 36.89 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.705 2.27 . . . . 0.0 112.352 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -90.33 -27.04 19.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.805 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.431 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 2.1 t70 -77.16 140.99 66.39 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.631 0.729 . . . . 0.0 110.817 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.431 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.9 Cg_endo -69.77 -0.11 6.45 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.73 2.287 . . . . 0.0 112.284 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.8 m -80.97 122.9 27.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -124.82 21.97 8.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -109.17 120.96 44.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.764 HD12 HD11 ' A' ' 23' ' ' ILE . 51.9 mt -73.99 149.94 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.17 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.444 ' HA ' HG22 ' A' ' 20' ' ' THR . 18.8 tttm -114.87 136.79 52.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.579 HD12 ' CG2' ' A' ' 71' ' ' ILE . 1.1 pt -131.28 115.15 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.16 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.9 m -118.26 133.04 56.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.533 ' H ' HD11 ' A' ' 71' ' ' ILE . . . 166.01 -146.3 10.89 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.533 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 47.7 p -83.4 164.52 19.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.368 . . . . 0.0 111.117 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -61.32 -30.11 70.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -87.01 -42.4 13.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.946 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -61.22 -56.6 22.82 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.579 ' CG2' HD12 ' A' ' 64' ' ' ILE . 78.6 mt -52.25 -43.29 39.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.82 0.343 . . . . 0.0 111.134 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -51.33 -59.67 3.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -45.57 -56.08 5.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.18 -41.34 83.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.152 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.44 ' O ' HD12 ' A' ' 79' ' ' LEU . 5.8 ttp-105 -65.74 -33.07 75.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 57.2 t60 -75.32 -34.95 61.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -74.22 -44.8 51.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.45 HG11 HG11 ' A' ' 21' ' ' VAL . 5.1 p -64.85 -38.36 82.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.44 HD12 ' O ' ' A' ' 75' ' ' ARG . 10.0 mt -71.24 -38.55 71.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.4 mt -62.76 -51.0 68.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 36.3 mt -55.24 -60.8 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 24.6 p -56.39 -43.74 79.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.83 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.49 -41.8 77.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.175 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -65.65 -40.45 92.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.51 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 62.3 mm-40 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.442 ' O ' HG23 ' A' ' 65' ' ' THR . . . . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.828 0.347 . . . . 0.0 111.106 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 p -149.28 124.21 9.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.86 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -119.45 170.39 9.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.044 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.432 HG22 ' O ' ' A' ' 62' ' ' ILE . 1.1 p -139.1 149.39 44.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.115 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.512 ' O ' HG13 ' A' ' 21' ' ' VAL . 5.5 p -124.96 109.9 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.6 115.93 8.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.792 HD11 HD12 ' A' ' 62' ' ' ILE . 2.5 pt -141.54 158.11 64.0 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.648 0.737 . . . . 0.0 111.129 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.546 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.2 Cg_endo -69.74 149.58 67.22 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.653 2.235 . . . . 0.0 112.381 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -11.59 10.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.432 ' O ' ' CE1' ' A' ' 30' ' ' PHE . 2.2 pt-20 -88.7 -11.72 44.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.546 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 59.2 m170 -105.7 -10.89 16.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.857 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -65.77 -47.39 75.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -62.77 -29.36 70.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.432 ' CE1' ' O ' ' A' ' 26' ' ' GLU . 23.8 m-85 -64.0 -32.72 74.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.516 HG21 HG23 ' A' ' 78' ' ' VAL . 77.5 t -79.91 -32.95 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.138 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.426 ' C ' ' HB3' ' A' ' 38' ' ' LYS . 96.8 mt -69.48 -44.93 79.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 119.13 164.16 12.65 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.443 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -39.55 -61.41 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.34 . . . . 0.0 110.935 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -111.25 -34.79 6.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 150.94 54.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.412 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -122.05 -45.49 2.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.351 . . . . 0.0 110.833 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.426 ' HB3' ' C ' ' A' ' 32' ' ' ILE . 14.4 tptm -41.58 -59.54 1.59 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.968 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.439 HD11 ' HB ' ' A' ' 50' ' ' ILE . 6.9 tp -51.24 -42.46 61.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 -54.59 -55.87 24.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -58.32 -45.99 87.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.9 mt -56.73 -55.07 38.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 47' ' ' ALA . 20.9 mt-10 -47.26 -41.38 18.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 47' ' ' ALA . 32.6 mt -74.66 -66.91 0.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.8 ttpt -42.18 -33.66 0.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.416 ' O ' HG23 ' A' ' 48' ' ' THR . 22.4 p -102.29 -15.31 16.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . 52.02 39.8 27.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.042 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 46' ' ' THR . 68.1 p -114.96 175.47 5.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.133 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -109.22 82.8 1.65 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.846 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.439 ' HB ' HD11 ' A' ' 39' ' ' LEU . 80.4 mt -72.58 128.2 35.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.165 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -127.74 110.31 12.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.96 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.499 HG23 ' HD2' ' A' ' 53' ' ' PRO . 36.3 mt -99.67 134.83 20.8 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.648 0.737 . . . . 0.0 111.156 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.499 ' HD2' HG23 ' A' ' 52' ' ' ILE . 53.9 Cg_endo -69.69 151.07 69.36 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.7 2.267 . . . . 0.0 112.308 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -58.18 157.62 16.28 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.629 0.728 . . . . 0.0 110.846 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.9 -17.35 36.99 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.665 2.243 . . . . 0.0 112.375 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -97.55 -22.73 16.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -69.98 139.28 87.87 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.623 0.725 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 3.2 2.89 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.717 2.278 . . . . 0.0 112.385 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.445 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 12.7 m -97.61 118.9 35.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.817 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -118.8 30.83 6.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -112.0 119.56 38.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.792 HD12 HD11 ' A' ' 23' ' ' ILE . 43.8 mt -74.56 148.1 8.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -112.89 134.24 54.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.582 ' HB ' HG23 ' A' ' 71' ' ' ILE . 1.1 pt -130.46 120.3 48.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.155 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 17' ' ' ALA . 30.3 m -125.3 145.81 49.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.066 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.419 ' H ' HD11 ' A' ' 71' ' ' ILE . . . 153.6 -150.25 21.9 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.409 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 75.2 p -78.59 144.04 35.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.894 0.378 . . . . 0.0 111.054 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -39.41 -36.66 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -80.97 -42.58 21.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -56.6 -59.28 11.05 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.582 HG23 ' HB ' ' A' ' 64' ' ' ILE . 71.8 mt -53.2 -44.99 54.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.779 0.323 . . . . 0.0 111.119 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -53.12 -48.07 68.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -54.19 -57.79 9.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.805 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.18 -34.9 75.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.606 ' O ' HD12 ' A' ' 79' ' ' LEU . 26.8 ttp85 -68.77 -35.03 76.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 35.6 t60 -75.15 -39.57 60.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.796 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -70.67 -49.55 46.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.516 HG23 HG21 ' A' ' 31' ' ' VAL . 9.8 p -58.01 -35.19 51.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.606 HD12 ' O ' ' A' ' 75' ' ' ARG . 13.2 mt -75.47 -39.01 59.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.8 mt -62.41 -41.51 98.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 19.1 mt -65.85 -57.46 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.8 t -52.85 -45.03 67.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.45 -54.78 39.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.032 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -51.08 -43.02 60.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.464 ' CB ' ' NE2' ' A' ' 27' ' ' HIS . 76.5 mm-40 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.42 ' O ' HD11 ' A' ' 71' ' ' ILE . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.753 0.311 . . . . 0.0 111.143 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 p -149.38 124.7 10.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -116.89 175.32 5.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.087 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.529 HG22 ' O ' ' A' ' 62' ' ' ILE . 0.8 OUTLIER -139.21 154.81 48.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.191 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.503 ' O ' HG13 ' A' ' 21' ' ' VAL . 5.1 p -129.56 110.46 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.198 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.39 111.41 5.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 1.067 HD11 HD12 ' A' ' 62' ' ' ILE . 2.9 pt -143.15 156.38 61.46 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.677 0.751 . . . . 0.0 111.111 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.531 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.6 Cg_endo -69.7 140.89 44.03 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.82 2.347 . . . . 0.0 112.282 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.6 mtmm -55.83 -13.48 1.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.822 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -79.56 -25.0 41.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.531 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 67.4 m170 -90.77 -17.94 25.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.83 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -54.78 -36.76 65.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -64.74 -41.75 95.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -58.62 -25.06 62.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.4 t -88.28 -36.99 9.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.13 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.414 ' C ' ' HB3' ' A' ' 38' ' ' LYS . 87.9 mt -67.82 -42.22 85.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.08 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 116.19 168.1 15.04 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.49 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -58.38 -51.85 68.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.734 0.302 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -109.27 -17.37 13.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 122.02 54.52 0.22 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -128.45 -30.19 2.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.938 0.399 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.414 ' HB3' ' C ' ' A' ' 32' ' ' ILE . 13.1 tptm -56.11 -24.36 40.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.4 tp -89.29 -42.97 11.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -64.82 -40.74 95.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -70.85 -36.88 73.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.0 mt -63.8 -51.45 64.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -55.78 -31.06 62.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 42.0 mt -80.02 -63.65 1.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.7 ttpp -47.17 -38.47 11.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.2 p -95.02 -19.99 19.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.165 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 61.74 47.3 6.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.143 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 65.3 p -123.91 176.75 6.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -112.25 85.35 2.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 60.7 mt -77.92 130.16 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.064 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -127.48 109.18 11.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.502 HG23 ' HD2' ' A' ' 53' ' ' PRO . 81.1 mt -97.55 134.32 22.65 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.645 0.736 . . . . 0.0 111.162 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.502 ' HD2' HG23 ' A' ' 52' ' ' ILE . 53.7 Cg_endo -69.72 152.57 69.52 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.726 2.284 . . . . 0.0 112.359 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -60.78 156.97 42.29 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.516 0.674 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -2.39 10.14 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.687 2.258 . . . . 0.0 112.306 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -116.03 -6.21 11.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.432 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.4 t70 -87.0 141.11 32.98 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.558 0.694 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.432 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 54.5 Cg_endo -69.69 2.9 3.08 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.667 2.245 . . . . 0.0 112.392 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.466 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 36.4 m -92.23 120.35 32.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.776 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -117.45 5.69 12.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -98.63 119.12 36.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 1.067 HD12 HD11 ' A' ' 23' ' ' ILE . 43.9 mt -76.83 151.98 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.178 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.409 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 26.2 ttpt -114.68 129.5 56.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.861 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.606 ' HB ' HG23 ' A' ' 71' ' ' ILE . 1.1 pt -123.33 116.98 50.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.138 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 60.6 m -118.01 139.17 51.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.624 ' H ' HD11 ' A' ' 71' ' ' ILE . . . 160.09 -155.93 27.11 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.527 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 69' ' ' GLU . 34.7 p -76.75 139.64 40.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.909 0.385 . . . . 0.0 111.127 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 67' ' ' THR . 8.0 tmtt? -36.45 -30.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 67' ' ' THR . 18.5 mm-40 -83.43 -46.68 12.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 67' ' ' THR . . . -57.12 -60.81 8.35 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.432 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.624 HD11 ' H ' ' A' ' 66' ' ' GLY . 73.6 mt -49.48 -42.72 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 0.0 111.088 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -55.53 -52.47 63.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.962 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 30.3 mttp -51.09 -55.0 19.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.62 -36.53 83.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.1 ttp85 -67.47 -33.12 74.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -74.07 -41.79 61.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -67.8 -51.71 45.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.416 HG11 HG11 ' A' ' 21' ' ' VAL . 4.5 p -56.57 -34.13 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.082 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.1 mt -77.21 -41.73 40.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.1 mt -60.28 -43.55 96.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 25.1 mt -66.3 -54.99 20.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.4 t -53.85 -47.43 71.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.55 -47.08 76.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.095 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -52.37 -41.55 63.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.434 ' HB2' ' NE2' ' A' ' 27' ' ' HIS . 50.6 mm-40 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.54 ' O ' HD11 ' A' ' 71' ' ' ILE . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.837 0.351 . . . . 0.0 111.078 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.471 ' HB3' HG23 ' A' ' 65' ' ' THR . 4.0 p -137.05 126.21 24.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -118.94 174.1 6.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.179 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 p -139.09 157.7 45.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.125 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.522 ' O ' HG13 ' A' ' 21' ' ' VAL . 4.7 p -132.73 105.57 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.79 114.98 4.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.079 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.74 HD11 HD12 ' A' ' 62' ' ' ILE . 10.3 pt -144.55 155.31 56.95 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.653 0.739 . . . . 0.0 111.114 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.468 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.1 Cg_endo -69.84 145.28 56.23 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.7 2.266 . . . . 0.0 112.319 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -57.74 -11.9 2.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.401 ' OE2' ' O ' ' A' ' 26' ' ' GLU . 3.1 tp10 -80.45 -31.59 37.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.475 ' NE2' ' CB ' ' A' ' 85' ' ' GLN . 64.9 m170 -86.65 -16.61 36.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -56.69 -54.54 44.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -50.08 -42.39 49.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -57.38 -31.44 65.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.826 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.1 t -78.4 -36.55 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.173 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.408 ' C ' ' HB3' ' A' ' 38' ' ' LYS . 41.9 mt -72.52 -41.36 63.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.116 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.2 148.46 8.8 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.531 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 35' ' ' ASN . 37.1 pttt -47.31 -43.07 22.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.717 0.294 . . . . 0.0 110.871 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.425 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 1.0 OUTLIER -109.8 -25.85 10.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.885 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 123.18 51.0 0.21 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.53 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -126.51 -28.11 3.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.892 0.377 . . . . 0.0 110.91 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.408 ' HB3' ' C ' ' A' ' 32' ' ' ILE . 25.2 tptt -56.17 -26.41 50.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.7 tp -87.65 -43.87 11.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -63.69 -38.74 92.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -72.51 -33.61 67.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.6 mt -70.84 -51.32 27.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -52.35 -29.38 23.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.1 mt -83.89 -65.89 0.96 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.969 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.7 ttpp -45.29 -35.8 3.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.441 HG21 ' HB2' ' A' ' 74' ' ' ALA . 27.8 p -99.54 -11.2 21.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.133 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 50.58 42.91 27.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.411 HG23 ' O ' ' A' ' 46' ' ' THR . 53.7 p -116.39 -178.82 3.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.21 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.3 tppt? -116.21 82.38 1.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 73.7 mt -75.37 119.99 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.104 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -121.6 107.07 11.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.679 HG23 ' HD2' ' A' ' 53' ' ' PRO . 56.1 mt -91.68 138.64 25.01 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.556 0.693 . . . . 0.0 111.17 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.679 ' HD2' HG23 ' A' ' 52' ' ' ILE . 52.9 Cg_endo -69.87 145.89 57.91 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.686 2.257 . . . . 0.0 112.315 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 29.1 mtt85 -57.36 156.78 14.5 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.565 0.698 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.67 -13.03 34.29 Favored 'Trans proline' 0 C--O 1.231 0.125 0 C-N-CA 122.672 2.248 . . . . 0.0 112.385 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -97.26 -24.51 15.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.432 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.4 t70 -77.7 141.12 64.14 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.574 0.702 . . . . 0.0 110.847 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.432 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 54.1 Cg_endo -69.72 0.35 5.75 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.702 2.268 . . . . 0.0 112.32 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.467 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 16.8 m -83.23 120.54 25.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.839 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -121.54 21.23 10.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -108.62 121.78 45.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.74 HD12 HD11 ' A' ' 23' ' ' ILE . 53.4 mt -75.26 149.28 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -113.92 132.51 55.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.462 ' HB ' HG23 ' A' ' 71' ' ' ILE . 1.1 pt -127.61 114.94 37.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.471 HG23 ' HB3' ' A' ' 18' ' ' SER . 7.6 m -125.33 138.42 54.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.452 ' H ' HD11 ' A' ' 71' ' ' ILE . . . 161.57 -141.51 7.35 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.494 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.2 p -81.21 139.62 35.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.863 0.363 . . . . 0.0 111.124 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.0 ttmt -42.61 -33.65 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.959 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -83.58 -35.5 24.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.51 -52.4 35.27 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.54 HD11 ' O ' ' A' ' 17' ' ' ALA . 83.0 mt -55.01 -48.31 75.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.796 0.331 . . . . 0.0 111.117 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -53.46 -44.17 68.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -58.38 -53.6 56.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.793 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.441 ' HB2' HG21 ' A' ' 46' ' ' THR . . . -64.17 -33.77 76.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -68.97 -37.08 78.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -71.19 -33.51 70.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -76.88 -50.92 12.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.6 p -56.96 -37.85 56.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.173 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.5 mt -73.82 -39.76 63.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.1 mt -61.19 -41.44 96.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.981 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 21.0 mt -69.93 -49.11 59.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.162 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 67.1 p -60.04 -42.14 93.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.89 -55.55 33.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.055 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -45.65 -43.76 12.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.475 ' CB ' ' NE2' ' A' ' 27' ' ' HIS . 71.5 mm-40 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.823 0.344 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.2 p -141.58 128.49 20.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.81 170.76 9.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.463 HG22 ' HA ' ' A' ' 63' ' ' LYS . 2.4 p -138.98 159.35 42.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.529 ' O ' HG13 ' A' ' 21' ' ' VAL . 5.7 p -132.97 107.58 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.11 116.22 6.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.062 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.763 HD11 HD12 ' A' ' 62' ' ' ILE . 8.5 pt -145.83 155.69 52.01 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.613 0.72 . . . . 0.0 111.195 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.522 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.4 Cg_endo -69.71 139.41 40.33 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.423 ' HZ2' ' HB3' ' A' ' 25' ' ' LYS . 1.2 mmmp? -51.03 -17.74 0.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.84 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -74.36 -33.45 63.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.522 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 63.0 m170 -85.42 -12.24 52.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -63.07 -42.35 99.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -66.41 -19.45 65.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -80.02 -26.8 39.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.5 t -82.44 -32.72 10.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.156 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.454 HG22 ' HA2' ' A' ' 36' ' ' GLY . 78.7 mt -72.33 -44.18 63.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.123 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 34' ' ' LYS . . . 122.98 162.98 11.67 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 33' ' ' GLY . 21.6 tttt -37.27 -61.46 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.771 0.319 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 -112.08 -34.42 5.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.454 ' HA2' HG22 ' A' ' 32' ' ' ILE . . . 150.12 57.1 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.469 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -130.45 -44.26 1.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.898 0.38 . . . . 0.0 110.879 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.5 tptt -40.07 -57.51 1.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.5 tp -53.51 -44.57 69.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.941 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.8 mm100 -49.75 -57.45 7.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.98 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -56.08 -45.22 79.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.7 mt -55.73 -59.91 4.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 47' ' ' ALA . 29.8 mt-10 -42.09 -39.28 1.92 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 47' ' ' ALA . 20.9 mt -76.73 -66.62 0.79 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -40.17 -36.49 0.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 20.1 p -101.0 -17.16 16.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . 57.41 34.52 24.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 63.3 p -109.68 173.69 6.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.5 tppt? -109.29 86.14 2.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 77.3 mt -78.59 120.78 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.122 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -121.27 112.91 19.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.649 HG23 ' HD2' ' A' ' 53' ' ' PRO . 51.8 mt -96.39 138.02 21.54 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.614 0.721 . . . . 0.0 111.12 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.649 ' HD2' HG23 ' A' ' 52' ' ' ILE . 53.3 Cg_endo -69.77 151.7 69.07 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.655 2.237 . . . . 0.0 112.306 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -61.2 155.64 55.0 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.59 0.709 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -9.83 27.1 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.682 2.255 . . . . 0.0 112.332 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -103.21 -21.61 13.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.849 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.427 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.5 t70 -75.82 141.27 71.71 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.614 0.721 . . . . 0.0 110.788 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.6 Cg_endo -69.75 -0.53 7.04 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.715 2.276 . . . . 0.0 112.371 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.497 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 9.0 m -90.02 113.22 24.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 -113.57 25.21 11.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -109.07 122.14 46.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.763 HD12 HD11 ' A' ' 23' ' ' ILE . 46.9 mt -74.67 150.32 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.098 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.463 ' HA ' HG22 ' A' ' 20' ' ' THR . 17.5 tttp -114.25 139.38 49.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.573 ' HB ' HG23 ' A' ' 71' ' ' ILE . 1.0 OUTLIER -136.1 115.2 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.845 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 98.0 m -120.65 150.11 41.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 149.7 -143.87 11.32 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.446 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 57.8 p -80.74 163.88 23.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.853 0.358 . . . . 0.0 111.127 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.2 mmmt -63.56 -24.64 67.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -92.29 -36.78 13.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.19 -55.91 21.09 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.42 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.573 HG23 ' HB ' ' A' ' 64' ' ' ILE . 71.9 mt -54.89 -46.63 75.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.786 0.327 . . . . 0.0 111.14 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -52.42 -46.83 66.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -56.49 -54.13 49.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.35 -35.77 80.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.101 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.408 ' HG3' HD11 ' A' ' 64' ' ' ILE . 7.3 ttm180 -68.16 -41.43 81.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -69.8 -27.92 65.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -82.92 -49.73 9.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.436 HG11 HG11 ' A' ' 21' ' ' VAL . 4.3 p -59.13 -37.18 66.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.5 mt -72.05 -42.2 66.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.6 mt -58.2 -52.48 65.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.93 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 31.6 mt -60.48 -53.12 53.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.8 m -55.2 -36.43 65.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.06 -53.69 41.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.099 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -46.23 -41.36 12.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.505 ' CB ' ' NE2' ' A' ' 27' ' ' HIS . 70.8 mm-40 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.922 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.878 0.37 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.562 ' HB2' HG23 ' A' ' 65' ' ' THR . 30.1 t -150.41 156.36 41.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -140.96 170.27 16.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.098 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.496 HG22 ' HA ' ' A' ' 63' ' ' LYS . 3.3 p -138.98 155.99 47.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.514 ' O ' HG13 ' A' ' 21' ' ' VAL . 6.1 p -132.64 109.38 14.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.5 ' HB2' ' OE1' ' A' ' 61' ' ' GLN . . . -63.53 115.15 4.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.019 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.853 HD11 HD12 ' A' ' 62' ' ' ILE . 5.4 pt -142.37 155.71 64.25 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.665 0.745 . . . . 0.0 111.106 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.536 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.7 Cg_endo -69.79 137.96 36.59 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.687 2.258 . . . . 0.0 112.273 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.8 mmmm -51.54 -16.48 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.965 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -76.3 -32.46 58.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.536 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 61.4 m170 -87.51 -11.25 49.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -61.68 -43.22 99.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.467 ' HG3' ' N ' ' A' ' 30' ' ' PHE . 14.2 ptm180 -61.87 -37.51 84.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.467 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 24.1 m-85 -62.04 -32.02 72.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.407 ' CG2' HG23 ' A' ' 78' ' ' VAL . 87.0 t -75.63 -33.92 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.156 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 95.7 mt -72.67 -44.89 59.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.081 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.88 157.36 9.77 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.507 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -49.47 -60.11 3.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.742 0.306 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -110.5 6.39 21.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 97.67 63.37 0.89 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -132.88 -36.48 1.04 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.998 0.428 . . . . 0.0 110.892 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.8 -66.31 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.5 tp -44.31 -43.49 7.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.994 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -57.71 -56.63 19.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.913 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -58.45 -41.69 85.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 42' ' ' LEU . 11.8 mt -60.97 -53.12 61.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.486 ' O ' ' N ' ' A' ' 47' ' ' ALA . 23.8 mt-10 -49.7 -40.87 41.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.8 mt -75.33 -65.0 0.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.961 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -44.4 -34.9 2.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 22.1 p -99.99 -18.46 17.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.173 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . 57.96 34.85 24.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.038 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 77.9 p -111.12 172.73 6.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -110.31 83.67 1.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.819 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.43 HD12 ' HG3' ' A' ' 43' ' ' GLU . 43.3 mt -72.21 140.39 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.113 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -136.34 115.91 12.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.493 HG23 ' HD2' ' A' ' 53' ' ' PRO . 50.5 mt -103.56 134.51 19.71 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.64 0.733 . . . . 0.0 111.163 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.493 ' HD2' HG23 ' A' ' 52' ' ' ILE . 54.0 Cg_endo -69.68 154.31 68.22 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.697 2.265 . . . . 0.0 112.41 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.6 mtp85 -64.01 158.73 60.95 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.607 0.718 . . . . 0.0 110.831 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -16.86 37.79 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.732 2.288 . . . . 0.0 112.313 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -95.98 -24.32 16.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.426 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 4.3 t70 -71.74 140.9 84.25 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.555 0.693 . . . . 0.0 110.874 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.426 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.5 Cg_endo -69.8 -1.29 8.26 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.7 2.266 . . . . 0.0 112.34 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.4 m -88.25 121.91 31.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -122.61 24.44 9.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.5 ' OE1' ' HB2' ' A' ' 22' ' ' ALA . 14.1 mt-30 -112.01 120.75 42.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.953 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.853 HD12 HD11 ' A' ' 23' ' ' ILE . 50.8 mt -73.71 149.69 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.158 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.496 ' HA ' HG22 ' A' ' 20' ' ' THR . 22.3 tttt -115.33 139.92 49.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.553 HD12 ' CG2' ' A' ' 71' ' ' ILE . 1.0 OUTLIER -133.32 122.11 43.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 179.872 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.562 HG23 ' HB2' ' A' ' 18' ' ' SER . 3.7 m -120.83 143.97 48.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.166 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 153.71 -143.69 10.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.469 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.3 p -94.2 147.95 22.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.916 0.389 . . . . 0.0 111.12 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -40.24 -35.22 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -76.25 -60.22 2.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -49.0 -56.48 10.04 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.445 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.553 ' CG2' HD12 ' A' ' 64' ' ' ILE . 68.1 mt -53.19 -42.16 45.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.77 0.319 . . . . 0.0 111.102 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -55.54 -58.83 6.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -47.81 -51.21 23.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.955 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.26 -41.54 98.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.044 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.46 ' NH1' HD11 ' A' ' 79' ' ' LEU . 26.5 ttt-85 -67.42 -30.34 70.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -78.03 -31.79 50.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -79.54 -45.45 19.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.407 HG23 ' CG2' ' A' ' 31' ' ' VAL . 9.5 p -63.18 -34.63 67.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.144 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.46 HD11 ' NH1' ' A' ' 75' ' ' ARG . 11.1 mt -76.15 -43.61 42.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.2 mt -58.89 -43.83 91.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 19.1 mt -69.97 -43.53 79.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.1 m -64.89 -38.65 91.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.15 -54.51 36.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -42.25 -48.33 4.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.49 ' CB ' ' NE2' ' A' ' 27' ' ' HIS . 84.0 mm-40 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.928 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.538 ' O ' HD11 ' A' ' 71' ' ' ILE . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.761 0.315 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.3 p -147.36 121.33 9.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -116.68 175.73 5.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 p -139.04 153.01 48.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.478 ' CG1' ' HB ' ' A' ' 62' ' ' ILE . 3.9 p -126.41 110.89 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.45 112.45 6.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.091 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 1.008 HD11 HD12 ' A' ' 62' ' ' ILE . 4.3 pt -146.63 156.43 48.69 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.613 0.72 . . . . 0.0 111.13 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.414 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.8 Cg_endo -69.8 140.17 41.86 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.72 2.28 . . . . 0.0 112.29 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.4 mttp -53.62 -15.6 1.24 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.883 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -76.13 -29.99 58.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.491 ' NE2' ' CB ' ' A' ' 85' ' ' GLN . 65.7 m170 -87.09 -15.36 38.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.979 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -57.13 -40.88 78.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -63.5 -36.91 85.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -62.98 -18.06 62.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.0 t -92.92 -17.19 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.13 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.532 HG22 ' HA2' ' A' ' 36' ' ' GLY . 26.0 mt -95.24 -32.23 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.451 ' CA ' ' HB2' ' A' ' 38' ' ' LYS . . . 104.8 168.69 24.35 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.489 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm -71.75 -33.99 69.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.833 0.349 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -110.75 -10.39 14.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.532 ' HA2' HG22 ' A' ' 32' ' ' ILE . . . 99.79 43.76 2.4 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.461 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -119.94 -16.48 8.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.943 0.401 . . . . 0.0 110.943 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.56 ' HE3' HD11 ' A' ' 42' ' ' LEU . 2.8 tmtm? -64.47 -43.86 92.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.8 tp -71.41 -46.8 59.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.474 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 7.5 pt20 -60.56 -46.67 89.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.474 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 6.3 t70 -61.96 -38.86 90.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.56 HD11 ' HE3' ' A' ' 38' ' ' LYS . 11.9 mt -64.95 -56.1 15.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.731 ' HG3' HD12 ' A' ' 50' ' ' ILE . 71.1 mt-10 -52.24 -18.15 1.42 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.4 mt -93.27 -58.03 2.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -49.73 -43.18 47.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 35.5 p -93.47 -19.78 20.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.194 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 62.84 40.08 10.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.094 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 62.1 p -113.38 177.56 4.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.161 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.98 96.05 5.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.828 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.731 HD12 ' HG3' ' A' ' 43' ' ' GLU . 53.7 mt -87.37 128.48 39.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -122.23 104.16 9.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.952 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 38.4 mt -91.51 127.67 49.71 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.582 0.706 . . . . 0.0 111.181 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.497 ' CG ' ' O ' ' A' ' 59' ' ' SER . 54.0 Cg_endo -69.75 152.71 69.41 Favored 'Trans proline' 0 C--O 1.231 0.128 0 C-N-CA 122.653 2.235 . . . . 0.0 112.369 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -61.16 156.07 51.91 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.699 0.761 . . . . 0.0 110.854 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -4.37 13.88 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.733 2.288 . . . . 0.0 112.318 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.33 -7.08 14.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.814 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.428 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.5 t70 -87.01 140.87 32.86 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.633 0.73 . . . . 0.0 110.81 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.5 Cg_endo -69.76 2.81 3.2 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.708 2.272 . . . . 0.0 112.354 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.497 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 42.1 m -96.67 109.22 21.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 -107.52 12.28 27.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -102.01 121.42 42.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 1.008 HD12 HD11 ' A' ' 23' ' ' ILE . 49.6 mt -74.53 152.13 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.078 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.414 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 59.9 tttt -114.06 130.72 56.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.624 ' HB ' HG23 ' A' ' 71' ' ' ILE . 1.1 pt -125.68 120.12 56.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.3 m -124.34 146.29 48.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.158 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.523 ' H ' HD11 ' A' ' 71' ' ' ILE . . . 153.85 -146.57 14.96 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.546 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 69' ' ' GLU . 76.4 p -82.4 139.93 33.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.829 0.347 . . . . 0.0 111.196 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.418 ' HD2' ' C ' ' A' ' 68' ' ' LYS . 5.0 tmmm? -37.09 -30.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.858 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 67' ' ' THR . 23.0 mt-10 -85.49 -45.89 11.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 67' ' ' THR . . . -56.08 -52.96 45.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.448 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.624 HG23 ' HB ' ' A' ' 64' ' ' ILE . 65.9 mt -60.07 -42.8 91.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.766 0.317 . . . . 0.0 111.135 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -56.29 -48.92 75.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -57.4 -53.32 59.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.65 -36.98 80.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.06 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -66.74 -39.81 88.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 56.1 t60 -68.55 -36.76 79.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -73.69 -50.66 19.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.2 p -61.06 -29.26 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.5 mt -81.18 -38.87 26.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.947 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 80' ' ' LEU . 13.8 mt -65.24 -44.95 86.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 45.6 mt -64.11 -58.39 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.0 m -52.89 -39.1 62.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.11 -50.55 72.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.059 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -57.77 -28.63 64.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.491 ' CB ' ' NE2' ' A' ' 27' ' ' HIS . 50.5 mm-40 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.768 0.318 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.4 p -142.63 128.6 19.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.918 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.46 175.13 6.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.087 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.6 p -138.88 154.09 48.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.21 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.519 ' O ' HG13 ' A' ' 21' ' ' VAL . 4.9 p -129.01 106.87 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.148 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.66 115.15 5.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.035 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.719 HD11 ' CD1' ' A' ' 62' ' ' ILE . 5.5 pt -141.5 156.35 66.83 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.634 0.73 . . . . 0.0 111.133 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.519 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 54.6 Cg_endo -69.78 141.46 45.21 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.611 2.208 . . . . 0.0 112.41 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.402 ' NZ ' ' HG2' ' A' ' 53' ' ' PRO . 5.6 tptt -53.88 -15.1 1.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -78.84 -28.11 44.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.519 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 67.1 m170 -88.52 -19.29 26.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -56.93 -27.1 60.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -85.45 -22.42 28.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -78.85 -13.05 60.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.5 t -96.48 -29.5 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.148 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 16.5 mt -79.15 -33.27 15.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.166 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 34' ' ' LYS . . . 104.4 129.8 6.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.569 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 33' ' ' GLY . 5.6 tmtt? -36.44 -45.36 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.815 0.34 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -98.65 -21.07 16.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 105.79 45.63 1.28 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.47 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -122.02 -16.39 7.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.932 0.396 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.7 tptp -68.61 -29.85 68.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.9 tp -79.63 -48.0 14.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.936 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -63.34 -35.44 80.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -74.32 -31.57 62.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.9 mt -76.26 -52.03 10.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.709 ' HG3' HD12 ' A' ' 50' ' ' ILE . 29.0 mt-10 -51.82 -27.14 11.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 20.5 mt -84.19 -65.77 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -43.6 -33.6 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.409 HG21 ' HB2' ' A' ' 74' ' ' ALA . 18.1 p -100.12 -18.18 17.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.194 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 58.86 37.17 24.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.025 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 63.4 p -112.64 179.1 4.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.179 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -115.05 91.26 3.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.912 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.709 HD12 ' HG3' ' A' ' 43' ' ' GLU . 49.6 mt -80.47 126.92 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.7 tp60 -122.83 112.06 17.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.505 HG23 ' HD2' ' A' ' 53' ' ' PRO . 95.7 mt -101.8 134.35 20.21 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.628 0.728 . . . . 0.0 111.102 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.505 ' HD2' HG23 ' A' ' 52' ' ' ILE . 53.8 Cg_endo -69.79 145.52 57.25 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.651 2.234 . . . . 0.0 112.392 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -49.11 158.84 0.65 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.677 0.751 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -14.61 36.28 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.679 2.253 . . . . 0.0 112.355 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -100.09 -23.32 14.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.421 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 5.5 t70 -69.98 139.88 88.25 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.584 0.707 . . . . 0.0 110.905 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 54.1 Cg_endo -69.82 -0.47 7.02 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.697 2.264 . . . . 0.0 112.314 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.455 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 47.6 m -81.14 120.46 24.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.832 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -120.73 19.34 11.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -110.52 120.5 42.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.719 ' CD1' HD11 ' A' ' 23' ' ' ILE . 43.2 mt -75.05 148.87 7.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -112.71 132.18 55.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.533 ' HB ' HG23 ' A' ' 71' ' ' ILE . 1.1 pt -127.43 116.01 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.173 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.8 m -121.41 140.18 52.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.433 ' H ' HD11 ' A' ' 71' ' ' ILE . . . 158.98 -144.19 10.03 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.434 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 68.2 p -83.07 165.73 19.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.895 0.379 . . . . 0.0 111.111 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -63.74 -25.99 68.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -90.54 -39.44 12.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.73 -53.64 36.74 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.527 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.533 HG23 ' HB ' ' A' ' 64' ' ' ILE . 76.6 mt -56.64 -40.98 72.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 0.0 111.156 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -57.99 -49.48 76.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.8 mttp -54.19 -52.42 61.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.409 ' HB2' HG21 ' A' ' 46' ' ' THR . . . -64.34 -38.33 90.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.4 ttt-85 -64.79 -33.97 77.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.823 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 56.5 t60 -73.44 -39.3 65.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.839 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -71.24 -51.21 25.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.849 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.417 HG11 HG11 ' A' ' 21' ' ' VAL . 5.2 p -56.07 -39.61 59.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.136 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.1 mt -72.88 -42.96 63.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.946 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.3 mt -58.09 -46.15 85.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 36.3 mt -58.47 -56.2 17.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 94.0 p -53.99 -46.1 71.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.813 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.95 -49.28 73.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.065 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -55.49 -32.95 63.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.892 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.503 ' CB ' ' NE2' ' A' ' 27' ' ' HIS . 72.6 mm-40 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.483 ' O ' HD11 ' A' ' 71' ' ' ILE . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.728 0.299 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.2 p -146.67 125.43 12.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.816 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.61 172.81 7.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.074 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.526 HG22 ' O ' ' A' ' 62' ' ' ILE . 0.8 OUTLIER -139.06 154.09 48.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.85 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.475 ' CG1' ' HB ' ' A' ' 62' ' ' ILE . 3.3 p -125.71 109.86 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.087 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.69 113.14 6.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.942 HD11 HD12 ' A' ' 62' ' ' ILE . 3.8 pt -146.61 155.26 48.97 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.584 0.707 . . . . 0.0 111.189 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.504 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 54.2 Cg_endo -69.76 142.57 48.28 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.663 2.242 . . . . 0.0 112.446 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.4 mtmm -56.46 -12.98 1.95 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -79.56 -25.11 41.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.504 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 65.4 m170 -89.64 -19.25 25.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -55.9 -36.86 68.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.806 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -61.71 -34.95 76.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -72.82 -10.13 59.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.6 t -102.84 -27.61 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.078 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.521 HG22 ' HA2' ' A' ' 36' ' ' GLY . 22.5 mt -82.93 -36.4 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.423 ' CA ' ' HB2' ' A' ' 38' ' ' LYS . . . 107.85 168.88 21.61 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.522 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.2 tppt? -41.52 -64.02 0.62 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.759 0.314 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -108.53 -29.77 8.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.966 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.521 ' HA2' HG22 ' A' ' 32' ' ' ILE . . . 149.16 46.41 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.48 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -111.38 -46.36 3.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.883 0.373 . . . . 0.0 110.865 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.423 ' HB2' ' CA ' ' A' ' 33' ' ' GLY . 1.7 tmtp? -41.19 -65.51 0.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.7 tp -48.3 -45.16 34.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.942 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -53.75 -52.25 60.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -57.53 -48.04 80.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.4 mt -53.61 -54.17 41.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -48.69 -36.94 17.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 47' ' ' ALA . 11.9 mt -79.46 -66.99 0.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -40.15 -36.25 0.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.425 HG21 ' HB2' ' A' ' 74' ' ' ALA . 22.2 p -101.32 -17.6 16.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.167 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 44' ' ' LEU . . . 59.05 34.5 23.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 74.5 p -111.46 168.26 9.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.154 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.426 ' HD3' ' N ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -102.02 90.02 3.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 73.3 mt -82.45 128.9 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -123.95 111.43 16.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.7 mt -99.82 129.45 28.61 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.564 0.697 . . . . 0.0 111.189 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 144.87 55.36 Favored 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 122.743 2.295 . . . . 0.0 112.387 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.9 mtp180 -52.81 160.36 1.48 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.601 0.715 . . . . 0.0 110.839 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -22.15 32.24 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.593 2.195 . . . . 0.0 112.35 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.2 p30 -90.47 -30.48 17.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.802 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.433 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.5 t70 -62.37 141.15 96.45 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.628 0.728 . . . . 0.0 110.854 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.433 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.8 Cg_endo -69.75 2.99 3.03 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.629 2.22 . . . . 0.0 112.368 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.5 m -91.45 130.68 37.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 -127.78 3.83 6.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -96.3 122.61 39.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.942 HD12 HD11 ' A' ' 23' ' ' ILE . 55.4 mt -78.16 148.46 6.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.3 tttp -111.64 134.42 53.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.609 HD12 ' CG2' ' A' ' 71' ' ' ILE . 1.1 pt -128.81 116.17 39.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.7 m -117.46 143.42 46.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.509 ' H ' HD11 ' A' ' 71' ' ' ILE . . . 153.98 -152.59 24.17 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.608 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 80.1 p -78.07 144.24 36.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.769 0.319 . . . . 0.0 111.162 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -43.79 -23.49 0.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.927 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -89.96 -45.67 9.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -60.31 -52.03 55.17 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.506 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.609 ' CG2' HD12 ' A' ' 64' ' ' ILE . 83.9 mt -56.41 -48.86 79.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.75 0.31 . . . . 0.0 111.116 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -51.25 -52.08 48.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -48.04 -58.17 4.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.425 ' HB2' HG21 ' A' ' 46' ' ' THR . . . -61.91 -34.27 75.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.086 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.847 ' O ' HD12 ' A' ' 79' ' ' LEU . 23.0 ttp180 -67.65 -33.61 75.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 52.2 t60 -76.24 -36.74 58.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.935 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -72.87 -49.71 28.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.44 HG11 HG11 ' A' ' 21' ' ' VAL . 6.5 p -57.21 -34.2 45.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.847 HD12 ' O ' ' A' ' 75' ' ' ARG . 7.4 mt -74.25 -47.16 36.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.423 ' HA ' HD23 ' A' ' 80' ' ' LEU . 11.8 mt -56.04 -48.73 75.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 17.3 mt -58.31 -56.93 13.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 58.0 p -55.25 -48.25 74.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.86 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -48.36 -51.96 23.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.09 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -58.36 -39.13 78.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.951 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.437 ' HB3' ' NE2' ' A' ' 27' ' ' HIS . 79.1 mm-40 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.445 ' O ' HG23 ' A' ' 65' ' ' THR . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.811 0.339 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.2 p -144.75 128.8 17.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.794 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.98 171.03 8.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.123 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -139.1 159.14 42.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.142 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.472 ' CG1' ' HB ' ' A' ' 62' ' ' ILE . 4.1 p -132.32 120.6 43.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.146 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.93 107.17 10.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.077 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.889 HD11 HD12 ' A' ' 62' ' ' ILE . 3.1 pt -139.29 155.47 72.28 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.672 0.749 . . . . 0.0 111.046 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.539 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.8 Cg_endo -69.8 143.78 51.75 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.717 2.278 . . . . 0.0 112.359 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.434 ' HD2' ' CE1' ' A' ' 28' ' ' HIS . 1.2 mmmp? -58.18 -11.56 2.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -83.26 -22.38 33.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.539 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 62.7 m170 -89.94 -28.1 19.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.814 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.434 ' CE1' ' HD2' ' A' ' 25' ' ' LYS . 31.7 m170 -45.78 -46.75 15.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -52.33 -43.87 64.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -61.45 -13.36 19.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.4 t -102.35 -23.32 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 61.2 mt -85.2 -36.79 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.18 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.471 ' CA ' ' HB2' ' A' ' 38' ' ' LYS . . . 111.18 175.82 20.27 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.501 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.7 ttmm -57.31 -58.39 8.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.878 0.371 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -106.69 -28.37 10.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 142.68 54.37 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.491 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.511 ' O ' ' N ' ' A' ' 40' ' ' GLN . 3.0 mt-10 -122.01 -51.07 2.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.882 0.372 . . . . 0.0 110.886 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.471 ' HB2' ' CA ' ' A' ' 33' ' ' GLY . 2.7 tmtp? -35.33 -39.26 0.12 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.4 tp -75.79 -41.92 51.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.511 ' N ' ' O ' ' A' ' 37' ' ' GLU . 5.5 pt20 -63.88 -36.89 85.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -72.79 -40.59 65.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.817 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.427 HD11 ' HE2' ' A' ' 38' ' ' LYS . 12.4 mt -64.08 -49.4 72.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.444 ' HG3' HD12 ' A' ' 50' ' ' ILE . 47.7 mt-10 -54.33 -29.2 47.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.0 mt -84.12 -64.88 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.9 ttpp -45.61 -42.01 10.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.1 p -91.81 -14.36 29.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 54.37 35.83 23.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.113 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 66.0 p -111.89 170.94 7.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.112 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.05 87.76 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.444 HD12 ' HG3' ' A' ' 43' ' ' GLU . 73.4 mt -78.9 130.34 36.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.167 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -130.64 107.63 9.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.469 HG23 ' HD2' ' A' ' 53' ' ' PRO . 37.9 mt -95.1 134.49 24.58 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.62 0.724 . . . . 0.0 111.151 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.469 ' HD2' HG23 ' A' ' 52' ' ' ILE . 53.6 Cg_endo -69.83 143.88 51.92 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.704 2.269 . . . . 0.0 112.27 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 47.6 mtt180 -53.06 159.5 1.91 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.695 0.759 . . . . 0.0 110.771 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 -14.89 36.74 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.692 2.261 . . . . 0.0 112.389 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -97.47 -27.26 14.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.431 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.6 t70 -67.1 141.05 96.15 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.574 0.702 . . . . 0.0 110.925 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.431 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 54.1 Cg_endo -69.77 -4.06 13.27 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.657 2.238 . . . . 0.0 112.358 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.7 m -85.96 125.72 33.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 -121.82 11.83 10.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -100.43 123.75 45.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.889 HD12 HD11 ' A' ' 23' ' ' ILE . 49.6 mt -76.73 148.85 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.064 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -109.61 136.62 48.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.563 ' HB ' HG23 ' A' ' 71' ' ' ILE . 1.1 pt -133.96 120.94 37.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.147 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 17' ' ' ALA . 21.2 m -127.57 142.64 51.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.139 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 155.67 -146.54 14.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.422 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 70' ' ' GLY . 75.8 p -81.54 143.75 31.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.893 0.377 . . . . 0.0 111.128 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 tmmm? -38.46 -35.58 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -80.06 -43.63 21.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 67' ' ' THR . . . -55.85 -60.83 8.2 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.439 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.563 HG23 ' HB ' ' A' ' 64' ' ' ILE . 76.4 mt -52.69 -46.48 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.825 0.345 . . . . 0.0 111.194 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -52.61 -54.99 25.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.9 mttp -47.64 -59.07 3.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.57 -35.6 74.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.132 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.8 ttt180 -68.75 -32.51 72.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.833 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 56.8 t60 -75.58 -33.55 60.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -76.36 -44.84 34.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.421 HG13 ' N ' ' A' ' 79' ' ' LEU . 7.3 p -64.07 -40.72 90.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.14 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.421 ' N ' HG13 ' A' ' 78' ' ' VAL . 13.5 mt -71.11 -41.67 70.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.2 mt -59.16 -48.38 81.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 21.6 mt -59.85 -59.53 3.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.118 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.6 t -48.34 -56.02 9.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -45.62 -54.73 7.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.107 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -49.31 -43.88 43.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.439 ' CB ' ' NE2' ' A' ' 27' ' ' HIS . 58.5 mm-40 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.74 0.305 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.3 p -148.26 120.18 8.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.858 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -115.87 175.01 5.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.062 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 p -139.09 153.84 48.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.149 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.5 HG13 ' O ' ' A' ' 21' ' ' VAL . 5.0 p -128.31 109.83 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.59 113.76 6.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.134 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.835 HD11 HD12 ' A' ' 62' ' ' ILE . 2.8 pt -141.19 155.03 68.32 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.703 0.763 . . . . 0.0 111.066 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.538 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.8 Cg_endo -69.7 147.84 64.13 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.68 2.253 . . . . 0.0 112.396 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.486 ' NZ ' ' ND1' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -61.54 -9.15 5.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -90.85 -12.79 35.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.538 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 54.4 m170 -103.49 -18.79 14.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.828 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.486 ' ND1' ' NZ ' ' A' ' 25' ' ' LYS . 10.2 m170 -54.28 -46.22 72.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -57.44 -43.37 83.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -56.26 -13.6 2.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 40.2 t -97.73 -33.31 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.401 ' C ' ' HB3' ' A' ' 38' ' ' LYS . 56.9 mt -74.46 -39.28 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 114.95 168.6 15.77 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.466 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.9 mmmt -59.12 -49.0 79.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.732 0.301 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -111.51 -20.2 12.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 124.06 47.87 0.23 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -121.37 -22.79 5.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.876 0.369 . . . . 0.0 110.835 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.401 ' HB3' ' C ' ' A' ' 32' ' ' ILE . 39.9 tptt -63.44 -31.67 72.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.1 tp -81.84 -44.23 17.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -63.8 -36.11 82.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -73.91 -36.65 64.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.2 mt -68.48 -53.08 25.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.405 ' HG3' HD12 ' A' ' 50' ' ' ILE . 23.6 mt-10 -51.23 -32.4 23.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 44' ' ' LEU . 16.6 mt -80.33 -62.66 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -46.69 -31.93 3.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.6 p -102.46 -20.75 14.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.232 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 61.52 38.3 15.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 71.0 p -114.68 175.61 5.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.2 tppt? -110.99 87.91 2.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.405 HD12 ' HG3' ' A' ' 43' ' ' GLU . 71.4 mt -77.43 136.19 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.132 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -129.43 114.57 16.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.6 mt -105.32 123.69 38.8 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.598 0.714 . . . . 0.0 111.167 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.496 ' CG ' ' O ' ' A' ' 59' ' ' SER . 53.9 Cg_endo -69.7 142.04 47.1 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.706 2.271 . . . . 0.0 112.381 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 64.4 mtm180 -49.87 158.04 0.96 Allowed Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.631 0.729 . . . . 0.0 110.844 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -14.68 36.38 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.695 2.263 . . . . 0.0 112.296 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -94.52 -25.63 16.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.864 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.429 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 4.9 t70 -69.96 140.57 88.72 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.563 0.697 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.429 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.9 Cg_endo -69.77 2.3 3.66 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.726 2.284 . . . . 0.0 112.374 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.496 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 10.1 m -94.09 114.42 26.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -114.03 20.46 15.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -110.08 120.91 43.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.835 HD12 HD11 ' A' ' 23' ' ' ILE . 53.3 mt -75.02 152.38 6.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.077 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.422 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 35.5 tttt -114.89 132.1 56.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.559 HD12 ' CG2' ' A' ' 71' ' ' ILE . 1.1 pt -127.33 116.72 44.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 47.7 m -120.66 146.51 46.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 152.72 -147.53 17.28 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.463 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 67.6 p -82.23 150.53 27.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.857 0.361 . . . . 0.0 111.165 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? -46.77 -31.51 3.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -83.79 -45.35 13.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -55.68 -59.79 9.95 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.496 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.559 ' CG2' HD12 ' A' ' 64' ' ' ILE . 73.3 mt -52.02 -45.11 40.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 0.0 111.153 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -53.99 -47.83 71.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -58.15 -49.21 77.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.828 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.02 -36.58 84.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.111 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -70.58 -38.82 74.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 53.9 t60 -67.82 -27.11 66.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -83.33 -46.63 12.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.469 HG11 HG11 ' A' ' 21' ' ' VAL . 2.0 p -65.11 -39.93 87.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.433 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 17.3 mt -69.73 -36.6 76.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.05 -49.51 69.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 24.9 mt -60.49 -57.97 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 85.2 p -50.6 -46.17 57.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.62 -51.51 69.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -48.85 -44.25 39.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.886 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.7 ' O ' HD11 ' A' ' 71' ' ' ILE . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.85 0.357 . . . . 0.0 111.056 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.0 p -139.12 125.62 20.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.792 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.65 -178.85 4.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.106 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 p -139.17 155.64 47.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.573 ' O ' HG13 ' A' ' 21' ' ' VAL . 5.6 p -130.01 94.08 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.093 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.29 112.14 1.03 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.554 HD11 ' CD1' ' A' ' 62' ' ' ILE . 10.9 pt -138.19 155.38 74.28 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.601 0.715 . . . . 0.0 111.123 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.549 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.7 Cg_endo -69.81 150.58 68.11 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.644 2.229 . . . . 0.0 112.39 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -60.86 -9.25 3.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.987 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -90.46 -11.73 39.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.58 ' CD2' ' HG3' ' A' ' 85' ' ' GLN . 62.7 m170 -103.53 -13.43 16.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.779 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -63.74 -37.4 87.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -70.88 -38.37 73.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -61.91 -30.22 70.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.448 HG21 HG23 ' A' ' 78' ' ' VAL . 92.1 t -80.83 -35.87 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.431 ' C ' ' HB3' ' A' ' 38' ' ' LYS . 90.3 mt -72.34 -42.09 65.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.51 148.57 7.9 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.491 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -41.53 -47.39 3.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.789 0.328 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -111.65 -30.84 7.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.401 ' HA2' HG22 ' A' ' 32' ' ' ILE . . . 131.41 47.39 0.12 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.492 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -123.89 -19.89 5.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.939 0.399 . . . . 0.0 110.887 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.431 ' HB3' ' C ' ' A' ' 32' ' ' ILE . 17.6 tptm -62.37 -54.39 41.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.4 tp -51.66 -45.4 63.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -52.06 -59.37 4.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -53.7 -45.87 70.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.6 mt -56.61 -53.73 54.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.835 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 47' ' ' ALA . 20.6 mt-10 -49.1 -41.18 34.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.814 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 47' ' ' ALA . 39.2 mt -74.96 -66.53 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.7 ttpp -40.1 -42.91 1.52 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.412 HG21 ' HB2' ' A' ' 74' ' ' ALA . 24.1 p -92.51 -19.68 21.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 44' ' ' LEU . . . 60.19 34.94 21.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.043 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 76.5 p -111.71 176.45 5.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.117 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.9 mmmt -112.54 85.88 2.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 77.2 mt -74.92 129.35 36.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.064 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -125.56 117.41 23.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 59.3 mt -109.17 130.5 22.66 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.665 0.745 . . . . 0.0 111.097 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.467 ' CB ' ' HB3' ' A' ' 59' ' ' SER . 53.7 Cg_endo -69.8 140.83 43.48 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.716 2.277 . . . . 0.0 112.321 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 53' ' ' PRO . 4.8 mpt_? -36.83 155.66 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.634 0.73 . . . . 0.0 110.846 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -14.32 35.72 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.651 2.234 . . . . 0.0 112.319 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.28 -26.43 15.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.435 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 9.5 t70 -66.21 139.81 96.59 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.574 0.702 . . . . 0.0 110.927 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.435 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.7 Cg_endo -69.76 3.25 2.88 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.723 2.282 . . . . 0.0 112.366 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.467 ' HB3' ' CB ' ' A' ' 53' ' ' PRO . 12.2 t -83.02 124.15 30.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -123.2 18.17 9.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -108.63 117.23 33.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.554 ' CD1' HD11 ' A' ' 23' ' ' ILE . 30.0 mt -75.95 149.19 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -111.77 132.9 54.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.929 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.538 HD12 HG23 ' A' ' 71' ' ' ILE . 1.1 pt -127.08 122.76 60.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 38.0 m -128.62 139.2 52.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.19 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.477 ' H ' HD11 ' A' ' 71' ' ' ILE . . . 157.0 -152.03 23.38 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.493 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 70' ' ' GLY . 69.7 p -80.57 145.81 31.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.847 0.356 . . . . 0.0 111.171 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -38.78 -37.34 0.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -75.23 -44.24 47.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 67' ' ' THR . . . -59.79 -58.96 11.52 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.4 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.7 HD11 ' O ' ' A' ' 17' ' ' ALA . 73.6 mt -55.86 -44.85 79.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 0.0 111.178 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -56.67 -50.09 73.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -55.21 -52.95 61.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.412 ' HB2' HG21 ' A' ' 46' ' ' THR . . . -63.24 -36.9 85.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.091 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.42 ' HA ' HG12 ' A' ' 78' ' ' VAL . 34.8 ttt180 -69.6 -34.29 73.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -74.95 -26.87 59.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -85.62 -46.7 10.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.526 HG13 HG21 ' A' ' 21' ' ' VAL . 9.9 p -62.7 -28.91 45.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 15.0 mt -81.86 -38.5 25.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.6 mt -63.55 -43.18 97.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 27.3 mt -66.66 -52.23 47.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 46.4 p -57.41 -46.45 83.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.03 -56.11 25.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.073 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -43.93 -45.26 7.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.58 ' HG3' ' CD2' ' A' ' 27' ' ' HIS . 55.2 mm-40 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.748 0.308 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m -152.33 137.7 17.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.27 177.06 6.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.136 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -139.18 159.14 42.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.198 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.555 ' O ' HG13 ' A' ' 21' ' ' VAL . 5.7 p -134.53 101.37 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.159 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.25 111.44 2.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.603 HD11 HD12 ' A' ' 62' ' ' ILE . 9.1 pt -140.28 155.55 70.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.705 0.764 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.532 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 54.5 Cg_endo -69.7 145.88 58.84 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.678 2.252 . . . . 0.0 112.367 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.19 -11.41 2.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.919 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -83.14 -21.69 33.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.532 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 66.2 m170 -95.3 -19.61 19.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -56.59 -46.18 80.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -58.96 -35.78 73.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -68.0 -29.18 68.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 66.5 t -78.22 -35.41 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.116 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.417 HG12 ' CD1' ' A' ' 52' ' ' ILE . 73.3 mt -72.55 -44.96 60.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 119.81 147.66 8.03 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.463 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.4 tptt -46.97 -55.08 8.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.359 . . . . 0.0 110.857 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -110.27 11.65 23.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.38 54.39 3.0 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.464 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -129.7 -5.19 4.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.902 0.382 . . . . 0.0 110.916 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.7 tptt -85.53 -43.02 13.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.2 tp -67.54 -49.23 64.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -55.88 -39.94 72.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.985 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -70.04 -45.31 67.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.7 mt -58.82 -52.06 67.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 47' ' ' ALA . 22.3 mt-10 -49.86 -38.22 34.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 25.5 mt -76.64 -64.62 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -44.54 -36.22 2.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.483 HG21 ' HB2' ' A' ' 74' ' ' ALA . 19.6 p -99.01 -16.29 18.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.125 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . 56.85 34.48 24.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.055 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 74.8 p -110.06 174.84 5.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.14 86.11 2.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 78.9 mt -78.71 126.17 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.195 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -123.61 120.16 31.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.417 ' CD1' HG12 ' A' ' 32' ' ' ILE . 56.5 mt -111.17 126.78 28.0 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.591 0.71 . . . . 0.0 111.21 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 143.83 51.96 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.692 2.261 . . . . 0.0 112.335 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -43.64 156.72 0.28 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.528 0.68 . . . . 0.0 110.932 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -8.42 23.57 Favored 'Trans proline' 0 N--CA 1.464 -0.22 0 C-N-CA 122.71 2.273 . . . . 0.0 112.402 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -101.49 -22.43 14.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.424 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.7 t70 -70.58 141.03 87.38 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.579 0.704 . . . . 0.0 110.842 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.5 Cg_endo -69.76 3.04 3.0 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.649 2.233 . . . . 0.0 112.358 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 t -88.43 115.82 26.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -115.84 18.16 15.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -110.85 120.53 42.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.603 HD12 HD11 ' A' ' 23' ' ' ILE . 51.0 mt -77.97 147.9 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.096 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.9 tttp -110.8 130.64 55.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.594 HD12 ' CG2' ' A' ' 71' ' ' ILE . 1.1 pt -124.09 123.32 66.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.2 m -127.25 146.63 50.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 150.05 -150.47 22.53 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.465 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.3 p -77.89 146.31 35.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.878 0.371 . . . . 0.0 111.131 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -40.06 -39.89 0.96 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.4 mp0 -76.57 -43.06 40.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -56.29 -58.19 15.5 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.483 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.594 ' CG2' HD12 ' A' ' 64' ' ' ILE . 80.8 mt -55.09 -52.14 47.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.831 0.348 . . . . 0.0 111.143 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.475 ' OE1' ' CA ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -50.76 -51.51 49.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.1 mttm -51.87 -54.42 29.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.483 ' HB2' HG21 ' A' ' 46' ' ' THR . . . -63.01 -33.39 75.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.147 179.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.568 ' HG3' HD11 ' A' ' 64' ' ' ILE . 11.1 ttt180 -71.54 -34.15 69.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -74.56 -29.8 61.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -82.66 -45.13 14.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.802 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.4 p -64.1 -27.97 43.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.412 HD12 ' O ' ' A' ' 75' ' ' ARG . 13.1 mt -83.52 -42.53 16.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.935 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.5 mt -57.6 -40.03 78.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.6 mt -69.46 -48.41 66.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.2 p -61.51 -42.7 99.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.71 -56.34 20.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.156 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -45.84 -46.7 15.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.526 ' HG3' ' CD2' ' A' ' 27' ' ' HIS . 60.4 mm-40 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.551 ' O ' HD11 ' A' ' 71' ' ' ILE . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.814 0.34 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.1 p -143.65 125.85 15.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -118.35 176.17 5.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.113 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 62' ' ' ILE . 0.8 OUTLIER -139.4 154.69 47.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 -179.897 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.51 ' O ' HG13 ' A' ' 21' ' ' VAL . 4.2 p -128.1 107.51 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.126 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.435 ' HB2' ' NE2' ' A' ' 61' ' ' GLN . . . -66.53 111.92 3.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.847 HD11 HD12 ' A' ' 62' ' ' ILE . 2.8 pt -141.08 156.22 68.22 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 121.591 0.71 . . . . 0.0 111.203 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.543 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 54.0 Cg_endo -69.72 150.92 69.07 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.72 2.28 . . . . 0.0 112.329 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.0 mtmm -67.45 -2.18 5.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -95.21 -21.87 18.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.543 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 58.4 m170 -89.1 -29.37 19.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.809 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -40.65 -47.23 2.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -52.52 -47.05 66.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.422 ' CE1' ' NE2' ' A' ' 85' ' ' GLN . 47.2 m-85 -57.6 -25.09 59.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 41.7 t -83.48 -37.64 13.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 53.0 mt -71.83 -38.88 66.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.216 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.53 177.04 17.46 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.464 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -67.42 -60.56 2.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.792 0.33 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -109.7 11.23 24.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 93.81 53.22 1.82 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -126.37 -29.85 2.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.901 0.381 . . . . 0.0 110.914 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -55.83 -66.71 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.9 tp -48.79 -44.63 39.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -52.27 -56.37 15.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.944 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -59.41 -39.8 84.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.6 mt -60.18 -54.58 44.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.949 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 47' ' ' ALA . 21.4 mt-10 -50.8 -40.18 54.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 28.4 mt -74.23 -65.74 0.81 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -43.63 -40.01 3.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 38.8 p -94.5 -18.99 20.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.207 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . 57.84 33.05 22.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.094 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 81.4 p -109.1 176.16 5.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.081 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.3 mmmt -110.16 89.17 2.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 60.4 mt -84.34 122.11 37.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.134 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -117.54 121.75 41.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 47.3 mt -111.8 123.89 33.63 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.582 0.706 . . . . 0.0 111.161 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 145.7 58.36 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.646 2.231 . . . . 0.0 112.416 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.1 mtp85 -50.28 161.45 0.6 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.646 0.736 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -22.71 31.57 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.671 2.248 . . . . 0.0 112.304 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -89.34 -27.27 20.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.924 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.436 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.4 t70 -62.75 141.43 97.17 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.625 0.726 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.436 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 52.8 Cg_endo -69.81 3.34 2.85 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.656 2.237 . . . . 0.0 112.274 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.8 m -95.76 127.99 42.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.86 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 23' ' ' ILE . 16.2 p-10 -126.41 9.75 7.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.879 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.435 ' NE2' ' HB2' ' A' ' 22' ' ' ALA . 8.4 mt-30 -103.45 122.65 45.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.847 HD12 HD11 ' A' ' 23' ' ' ILE . 45.5 mt -80.2 148.44 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.18 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 46.0 tttt -110.57 133.43 53.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.624 ' HB ' HG23 ' A' ' 71' ' ' ILE . 1.1 pt -127.73 116.7 44.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 39.6 m -123.65 144.42 49.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.445 ' H ' HD11 ' A' ' 71' ' ' ILE . . . 156.25 -145.05 11.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 70' ' ' GLY . 75.9 p -82.45 141.62 32.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.837 0.351 . . . . 0.0 111.161 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.3 tttm -38.06 -34.15 0.11 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -84.5 -41.69 16.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 67' ' ' THR . . . -57.69 -54.37 37.82 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.525 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.624 HG23 ' HB ' ' A' ' 64' ' ' ILE . 72.8 mt -57.44 -52.11 61.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.349 . . . . 0.0 111.151 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -47.96 -52.26 20.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt -50.66 -56.28 12.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.1 -36.68 77.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.09 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.7 ttt180 -67.44 -34.2 76.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 57.6 t60 -74.21 -30.74 62.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -79.13 -45.59 19.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.462 HG11 HG11 ' A' ' 21' ' ' VAL . 3.7 p -63.22 -38.13 81.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.5 mt -71.76 -41.72 68.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.7 mt -58.14 -51.63 68.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 19.8 mt -61.67 -56.27 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 58.9 p -51.34 -46.14 62.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.821 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.12 -54.3 48.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -48.95 -45.4 41.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.422 ' NE2' ' CE1' ' A' ' 30' ' ' PHE . 56.1 mm-40 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.444 ' O ' HD11 ' A' ' 71' ' ' ILE . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.809 0.338 . . . . 0.0 111.069 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 p -144.94 117.75 8.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.08 169.51 8.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.142 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 p -139.1 153.02 47.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.154 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.462 ' O ' HG13 ' A' ' 21' ' ' VAL . 4.4 p -130.05 113.77 27.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.32 115.01 11.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.862 HD11 HD12 ' A' ' 62' ' ' ILE . 3.8 pt -142.47 157.01 63.44 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.617 0.722 . . . . 0.0 111.155 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.541 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.9 Cg_endo -69.66 144.07 53.41 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.731 2.287 . . . . 0.0 112.352 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.1 tptp -54.13 -14.89 1.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.855 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -78.8 -28.09 44.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.541 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 64.9 m170 -89.58 -13.56 36.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.412 ' ND1' HG23 ' A' ' 52' ' ' ILE . 5.8 m-70 -66.27 -36.05 81.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -73.45 -26.04 60.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -75.39 -21.23 58.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 27' ' ' HIS . 95.8 t -85.54 -35.86 10.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.17 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.412 ' C ' ' HB3' ' A' ' 38' ' ' LYS . 66.1 mt -69.42 -37.76 75.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 113.43 160.05 13.81 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.44 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -58.15 -56.12 26.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.827 0.346 . . . . 0.0 110.957 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -97.24 -8.51 29.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 106.07 46.95 1.12 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.511 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 40' ' ' GLN . 1.9 mm-40 -120.71 -44.18 2.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.852 0.358 . . . . 0.0 110.903 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 37' ' ' GLU . 18.1 tptp -35.96 -33.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 37' ' ' GLU . 9.1 tp -85.28 -40.77 16.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.967 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 37' ' ' GLU . 3.9 pt20 -63.24 -32.97 74.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -79.75 -32.06 41.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.507 HD23 ' NZ ' ' A' ' 45' ' ' LYS . 9.8 mt -71.02 -56.23 6.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -49.35 -28.15 4.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.4 mt -86.36 -64.81 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.507 ' NZ ' HD23 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -45.52 -42.87 11.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.807 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 19.7 p -90.16 -21.64 22.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 63.01 39.63 9.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.164 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 71.5 p -117.34 177.23 4.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -115.07 87.73 2.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 32.4 mt -78.99 126.97 39.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -122.16 113.14 19.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.635 HG23 ' HD2' ' A' ' 53' ' ' PRO . 59.5 mt -97.45 138.29 21.13 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.62 0.724 . . . . 0.0 111.152 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.635 ' HD2' HG23 ' A' ' 52' ' ' ILE . 53.9 Cg_endo -69.76 152.6 69.35 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.643 2.229 . . . . 0.0 112.36 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -63.52 155.62 74.72 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.593 0.711 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.62 -6.91 19.66 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.753 2.302 . . . . 0.0 112.401 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.65 -12.19 14.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.414 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 2.2 t70 -86.13 140.4 34.69 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.606 0.717 . . . . 0.0 110.855 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.414 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 52.7 Cg_endo -69.83 3.11 3.0 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.728 2.285 . . . . 0.0 112.247 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.496 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 6.0 m -91.84 119.37 31.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -120.79 27.61 8.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -112.92 119.56 38.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.947 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.862 HD12 HD11 ' A' ' 23' ' ' ILE . 52.3 mt -74.24 147.69 8.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.03 128.31 56.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.787 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.68 ' HB ' HG23 ' A' ' 71' ' ' ILE . 1.0 OUTLIER -119.07 115.32 47.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.119 179.835 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.7 m -114.09 142.0 46.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.179 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.448 ' H ' HD11 ' A' ' 71' ' ' ILE . . . 153.92 -154.33 25.44 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.526 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 55.5 p -80.08 145.16 32.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.864 0.364 . . . . 0.0 111.154 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.0 tptt -40.53 -36.98 0.64 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -76.91 -45.68 27.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -59.6 -59.61 10.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.562 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.68 HG23 ' HB ' ' A' ' 64' ' ' ILE . 71.9 mt -50.58 -40.54 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.808 0.337 . . . . 0.0 111.121 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -58.08 -51.06 71.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -51.59 -51.02 58.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.55 -36.78 83.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.052 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.451 ' O ' HD12 ' A' ' 79' ' ' LEU . 28.0 ttt180 -65.24 -32.21 73.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -76.36 -45.25 32.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -63.85 -45.09 91.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.3 p -65.68 -36.32 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.171 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.454 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 9.1 mt -74.33 -36.06 63.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.93 -47.83 73.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 50.3 mt -63.17 -57.15 13.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.183 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.5 m -58.33 -34.69 70.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.807 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 79' ' ' LEU . . . -64.76 -46.3 82.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.064 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -54.11 -43.17 70.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.423 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 36.6 mm-40 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.404 ' O ' HG23 ' A' ' 65' ' ' THR . . . . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.842 0.353 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 p -146.72 121.66 10.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.839 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -118.32 172.9 7.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.078 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.1 p -139.06 155.57 47.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.481 HG13 ' HB ' ' A' ' 62' ' ' ILE . 2.6 p -131.29 105.25 10.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.091 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.58 ' HB2' ' NE2' ' A' ' 61' ' ' GLN . . . -65.79 116.76 7.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.698 HD11 HD12 ' A' ' 62' ' ' ILE . 5.9 pt -144.93 156.01 55.43 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.643 0.735 . . . . 0.0 111.065 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.552 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 54.1 Cg_endo -69.76 150.11 67.78 Favored 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.74 2.294 . . . . 0.0 112.379 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.407 ' HE2' ' CE1' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -61.66 -9.96 7.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.915 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.453 ' CG ' ' HB2' ' A' ' 24' ' ' PRO . 0.9 OUTLIER -88.97 -12.48 41.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.575 ' CE1' ' HB2' ' A' ' 85' ' ' GLN . 62.8 m170 -104.42 -13.15 16.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.407 ' CE1' ' HE2' ' A' ' 25' ' ' LYS . 14.9 m170 -62.45 -46.94 86.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.862 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.447 ' HG3' ' N ' ' A' ' 30' ' ' PHE . 7.7 ptp180 -58.39 -39.07 78.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.447 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 15.0 m-85 -60.18 -28.17 67.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.4 HG21 HG23 ' A' ' 78' ' ' VAL . 87.4 t -85.3 -27.74 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.062 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.457 HG12 ' CD1' ' A' ' 52' ' ' ILE . 97.6 mt -79.49 -47.29 22.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 34' ' ' LYS . . . 122.96 140.25 5.66 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 33' ' ' GLY . 12.2 ptmt -35.38 -47.33 0.42 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.787 0.327 . . . . 0.0 110.895 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -111.23 -31.45 7.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.44 42.14 0.2 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.547 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -111.59 -37.94 5.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.947 0.403 . . . . 0.0 110.885 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.413 ' HE3' HD11 ' A' ' 42' ' ' LEU . 49.7 tptt -47.77 -66.87 0.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 tp -40.89 -46.21 2.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.879 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -54.91 -59.57 4.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -51.5 -40.27 59.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.422 ' O ' HG23 ' A' ' 46' ' ' THR . 12.8 mt -64.91 -52.9 53.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 47' ' ' ALA . 24.7 mt-10 -50.46 -37.04 36.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.8 mt -78.94 -61.93 1.86 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -48.8 -30.88 6.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.427 HG21 ' HB2' ' A' ' 74' ' ' ALA . 10.4 p -104.35 -15.65 15.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . 54.57 33.92 20.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 71.6 p -110.53 172.71 6.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.12 82.04 1.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.932 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 67.2 mt -71.74 126.36 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.7 tp60 -124.59 115.22 20.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.474 HG23 ' HD2' ' A' ' 53' ' ' PRO . 33.2 mt -102.75 134.4 19.89 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.598 0.714 . . . . 0.0 111.172 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.474 ' HD2' HG23 ' A' ' 52' ' ' ILE . 55.2 Cg_endo -69.68 145.52 57.88 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.705 2.27 . . . . 0.0 112.404 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 48.1 mtt-85 -51.8 157.92 1.82 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.547 0.689 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -13.69 34.99 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.642 2.228 . . . . 0.0 112.313 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.58 -24.0 14.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.434 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 4.3 t70 -64.85 141.29 98.31 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.57 0.7 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.434 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.8 Cg_endo -69.79 -1.15 8.01 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.687 2.258 . . . . 0.0 112.312 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.3 m -96.46 124.03 40.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -120.86 24.76 10.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.58 ' NE2' ' HB2' ' A' ' 22' ' ' ALA . 6.6 mt-30 -109.29 124.91 51.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.698 HD12 HD11 ' A' ' 23' ' ' ILE . 53.5 mt -77.71 148.37 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.195 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -112.29 133.86 54.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.585 ' HB ' HG23 ' A' ' 71' ' ' ILE . 1.1 pt -128.55 119.21 49.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 17' ' ' ALA . 30.6 m -127.9 143.43 51.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.475 ' H ' HD11 ' A' ' 71' ' ' ILE . . . 158.0 -136.26 4.72 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.507 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 37.4 p -86.89 170.55 11.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.847 0.356 . . . . 0.0 111.181 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp -69.25 -25.5 64.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -93.76 -35.9 12.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.5 -52.87 35.79 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.503 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.585 HG23 ' HB ' ' A' ' 64' ' ' ILE . 72.3 mt -58.02 -47.26 87.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 0.0 111.177 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -53.19 -45.53 68.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -58.31 -52.64 64.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.427 ' HB2' HG21 ' A' ' 46' ' ' THR . . . -63.62 -34.73 78.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.412 ' HA ' HG12 ' A' ' 78' ' ' VAL . 22.4 ttp85 -69.95 -35.59 74.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 56.3 t60 -73.69 -33.61 64.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -77.66 -44.62 27.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.412 HG12 ' HA ' ' A' ' 75' ' ' ARG . 9.4 p -65.5 -31.25 53.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.7 mt -79.97 -40.56 27.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.3 mt -60.98 -41.58 96.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 24.6 mt -66.94 -51.82 50.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 63.4 p -57.45 -45.14 85.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.65 -52.02 63.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -48.27 -46.49 35.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.575 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 73.0 mm-40 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.8 0.333 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.1 p -146.26 132.39 19.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.905 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.07 172.4 11.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.483 HG22 ' O ' ' A' ' 62' ' ' ILE . 1.2 p -139.18 155.47 47.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.467 HG13 ' O ' ' A' ' 21' ' ' VAL . 3.6 p -128.62 110.38 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.53 112.27 4.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.841 HD11 HD12 ' A' ' 62' ' ' ILE . 3.5 pt -140.37 156.54 69.65 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.64 0.733 . . . . 0.0 111.109 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.536 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 54.0 Cg_endo -69.74 149.9 67.62 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.685 2.257 . . . . 0.0 112.375 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -65.0 -6.01 7.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.473 ' CG ' ' HB2' ' A' ' 24' ' ' PRO . 1.3 pt-20 -92.53 -16.81 25.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.567 ' CE1' ' HB2' ' A' ' 85' ' ' GLN . 63.1 m170 -100.28 -14.36 18.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 5.8 m170 -58.36 -51.92 67.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -48.64 -47.09 40.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -53.71 -26.27 22.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.6 t -80.94 -37.6 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.153 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -68.59 -43.66 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.05 172.81 14.56 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.475 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -59.01 -63.36 1.33 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.753 0.311 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -110.78 11.27 22.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 94.14 49.46 2.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.478 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -122.74 -25.69 4.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.933 0.397 . . . . 0.0 110.896 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.411 ' NZ ' HD11 ' A' ' 81' ' ' ILE . 23.7 tptm -62.28 -66.69 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.6 tp -42.95 -48.11 5.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -52.17 -56.72 12.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -54.77 -47.22 74.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.407 ' CD1' ' HE2' ' A' ' 38' ' ' LYS . 12.3 mt -56.58 -52.27 65.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -50.25 -40.08 46.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 47' ' ' ALA . 30.6 mt -76.9 -67.01 0.75 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -42.51 -40.01 2.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.8 p -94.06 -16.48 23.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 44' ' ' LEU . . . 54.91 42.28 31.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 75.7 p -118.04 175.58 5.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.07 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -110.76 87.73 2.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 68.3 mt -82.37 115.15 24.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.144 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -112.81 113.03 24.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.576 HG23 ' HD2' ' A' ' 53' ' ' PRO . 82.6 mt -100.84 136.22 19.86 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.629 0.728 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.576 ' HD2' HG23 ' A' ' 52' ' ' ILE . 53.7 Cg_endo -69.76 158.9 55.37 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.327 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -64.55 158.44 67.18 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.626 0.727 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -4.94 15.01 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.678 2.252 . . . . 0.0 112.375 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -117.67 -10.11 10.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.421 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.6 t70 -76.02 140.84 70.48 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.608 0.718 . . . . 0.0 110.855 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.2 Cg_endo -69.78 1.04 4.81 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.647 2.231 . . . . 0.0 112.319 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.2 m -93.38 122.14 35.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 -119.12 17.34 13.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -107.78 120.24 41.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.841 HD12 HD11 ' A' ' 23' ' ' ILE . 42.2 mt -76.25 151.41 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.08 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.414 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 1.8 ttmp? -113.29 136.63 52.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.481 ' HB ' HG23 ' A' ' 71' ' ' ILE . 1.1 pt -131.66 122.18 49.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.084 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.1 m -127.47 144.74 51.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.129 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 151.78 -154.69 25.71 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.446 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 70' ' ' GLY . 1.0 OUTLIER -76.5 143.36 40.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.829 0.347 . . . . 0.0 111.203 -179.871 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -41.58 -31.4 0.27 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -80.79 -38.67 28.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 67' ' ' THR . . . -67.09 -53.59 25.53 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.483 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.481 HG23 ' HB ' ' A' ' 64' ' ' ILE . 69.4 mt -57.23 -41.36 77.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.797 0.332 . . . . 0.0 111.074 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -57.02 -50.24 73.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -53.81 -57.15 11.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.25 -37.05 76.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.0 ttt-85 -67.33 -38.43 84.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 22.6 t60 -71.66 -31.89 67.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.798 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -78.3 -49.13 14.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.436 HG11 HG11 ' A' ' 21' ' ' VAL . 5.3 p -60.46 -35.17 61.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.5 mt -75.57 -40.03 57.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.8 mt -63.4 -40.69 97.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.97 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.411 HD11 ' NZ ' ' A' ' 38' ' ' LYS . 54.7 mt -66.5 -55.5 18.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 90.2 p -54.64 -44.7 73.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.18 -55.73 30.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.079 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -42.96 -47.27 5.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.567 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 70.9 mm-40 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.94 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.2 t -126.17 -46.25 1.66 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.875 0.369 . . . . 0.0 110.826 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.6 p -139.77 174.71 10.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.855 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.35 -140.21 11.57 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.4 p 39.07 43.8 0.85 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.806 0.336 . . . . 0.0 110.784 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.2 m -57.7 -51.16 70.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.84 168.93 3.43 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.519 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -148.15 109.54 4.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.828 0.347 . . . . 0.0 110.846 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 10' ' ' VAL . 34.2 mm -95.16 124.53 47.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.164 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.423 ' C ' ' O ' ' A' ' 9' ' ' ILE . 1.9 p -35.91 114.26 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -159.8 130.4 5.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.077 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 61.5 mtm180 -69.05 160.89 30.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -123.41 46.65 2.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -106.41 36.88 2.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 57.9 p -147.54 176.72 9.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 -127.17 137.75 53.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.943 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -120.97 168.57 11.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.099 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 m -146.52 130.37 17.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.16 175.84 5.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.163 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.556 HG22 ' O ' ' A' ' 62' ' ' ILE . 0.8 OUTLIER -139.13 159.48 42.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.159 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.497 HG13 ' O ' ' A' ' 21' ' ' VAL . 4.3 p -133.08 109.52 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.99 109.74 5.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.163 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.812 HD11 HD12 ' A' ' 62' ' ' ILE . 2.7 pt -141.36 157.14 66.72 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.68 0.753 . . . . 0.0 111.091 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.505 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 54.2 Cg_endo -69.69 141.32 45.18 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.705 2.27 . . . . 0.0 112.37 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.4 mtmm -57.01 -12.05 1.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -81.53 -22.24 38.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.505 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 66.1 m170 -93.55 -22.97 18.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.437 ' ND1' HG23 ' A' ' 52' ' ' ILE . 8.2 m170 -49.58 -34.87 18.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.823 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -69.0 -41.22 78.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -62.66 -11.35 16.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.918 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 41.8 t -100.69 -27.14 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.069 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 81.5 mt -82.64 -40.96 17.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.08 164.06 13.29 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.46 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.1 ptpt -51.4 -52.28 47.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.79 0.329 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -110.81 -25.39 9.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 133.68 47.52 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.542 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -114.34 -37.01 4.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.958 0.409 . . . . 0.0 110.961 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.53 -65.66 0.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 tp -46.0 -45.58 15.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -53.42 -58.28 7.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.896 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -52.76 -43.17 65.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.5 mt -61.69 -55.6 28.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -48.78 -37.72 19.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.3 mt -78.61 -66.6 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -42.07 -40.57 2.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.9 p -94.39 -17.89 22.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.188 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 57.39 33.31 23.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.08 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 66.9 p -108.24 174.79 5.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -108.85 82.05 1.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 89.4 mt -71.23 137.86 22.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.142 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -135.72 113.7 11.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.84 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.505 HG23 ' HD2' ' A' ' 53' ' ' PRO . 53.4 mt -103.57 135.31 19.39 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.667 0.746 . . . . 0.0 111.045 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.505 ' HD2' HG23 ' A' ' 52' ' ' ILE . 53.3 Cg_endo -69.83 156.13 63.95 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.628 2.219 . . . . 0.0 112.354 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -60.81 156.16 47.75 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.543 0.687 . . . . 0.0 110.92 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -2.49 10.24 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.729 2.286 . . . . 0.0 112.273 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -116.26 -8.46 11.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.437 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 2.1 t70 -82.27 141.3 46.02 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.566 0.698 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.437 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.5 Cg_endo -69.73 3.38 2.79 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.666 2.244 . . . . 0.0 112.355 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.484 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 24.0 m -94.81 115.98 28.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.825 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 -112.34 12.26 20.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -103.97 123.11 46.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.812 HD12 HD11 ' A' ' 23' ' ' ILE . 53.0 mt -78.56 154.68 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.453 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 33.7 ttmt -115.75 131.48 56.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.577 ' HB ' HG23 ' A' ' 71' ' ' ILE . 1.1 pt -127.37 120.3 54.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 50.9 m -122.98 145.88 48.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.414 ' H ' HD11 ' A' ' 71' ' ' ILE . . . 152.05 -150.24 22.07 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.497 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 76.9 p -79.2 143.99 34.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 0.0 111.21 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? -40.9 -39.21 1.09 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -76.12 -42.28 47.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -59.58 -60.51 8.63 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.512 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.577 HG23 ' HB ' ' A' ' 64' ' ' ILE . 72.9 mt -51.78 -39.06 23.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.735 0.303 . . . . 0.0 111.111 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -60.19 -49.24 78.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.838 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -55.95 -44.01 78.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.22 -38.25 72.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.417 ' HA ' HG12 ' A' ' 78' ' ' VAL . 2.2 ttp-105 -69.03 -33.41 73.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -75.07 -32.62 61.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -80.02 -48.42 13.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.417 HG12 ' HA ' ' A' ' 75' ' ' ARG . 9.7 p -59.06 -33.42 50.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.7 mt -78.2 -45.96 21.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.8 mt -54.12 -42.07 69.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 19.4 mt -70.66 -52.86 25.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.181 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.3 m -58.1 -32.39 68.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.7 -51.23 43.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.081 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -47.75 -42.91 26.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.428 ' HB2' ' NE2' ' A' ' 27' ' ' HIS . 70.0 mm-40 -57.43 -40.72 79.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -61.81 -32.33 72.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.0 tptp -96.7 28.72 3.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 30.5 ptt-85 -58.4 171.03 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 44.0 m -130.85 -49.3 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -147.85 -158.38 7.89 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.532 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 95.96 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.714 2.276 . . . . 0.0 112.375 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.9 p -44.42 101.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.819 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 30.5 t -88.65 107.48 18.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.486 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -126.78 176.24 7.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.867 0.365 . . . . 0.0 110.855 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.1 p -114.22 159.21 20.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.855 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.18 -171.96 10.13 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.444 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -90.17 90.63 8.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.887 0.375 . . . . 0.0 110.879 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 t -57.6 154.78 10.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.78 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.36 72.31 1.07 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -90.16 45.57 1.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.738 0.304 . . . . 0.0 110.84 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.6 mp -85.59 147.18 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.7 p -150.93 152.86 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -164.47 176.18 9.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -60.67 118.56 6.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 pp -76.23 156.86 33.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.965 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -99.0 -43.67 6.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.6 p -128.53 172.3 11.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -94.44 138.11 32.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.986 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.535 ' O ' HG23 ' A' ' 65' ' ' THR . . . -102.84 164.97 11.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.126 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.2 p -148.98 131.86 16.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.47 175.74 7.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.119 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.427 HG23 ' HD2' ' A' ' 63' ' ' LYS . 3.4 p -139.18 151.47 46.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.181 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.562 HG11 HG11 ' A' ' 78' ' ' VAL . 4.7 p -126.31 102.27 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.2 114.02 2.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.638 HD11 HD12 ' A' ' 62' ' ' ILE . 8.6 pt -140.96 155.49 68.85 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.656 0.741 . . . . 0.0 111.112 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.536 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.9 Cg_endo -69.76 146.19 59.46 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.648 2.232 . . . . 0.0 112.398 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.2 tptp -57.25 -12.25 2.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -81.42 -22.99 37.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.847 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.572 ' CD2' ' HG3' ' A' ' 85' ' ' GLN . 62.0 m170 -91.43 -30.92 16.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -47.62 -44.88 27.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 29' ' ' ARG . 4.6 ptp180 -63.06 -40.11 96.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -62.6 -30.06 71.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.436 HG21 HG23 ' A' ' 78' ' ' VAL . 97.6 t -78.23 -37.9 22.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.423 ' C ' ' HB3' ' A' ' 38' ' ' LYS . 77.5 mt -71.0 -39.34 74.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 34' ' ' LYS . . . 113.3 140.85 7.8 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 33' ' ' GLY . 22.5 tttt -34.73 -48.05 0.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.739 0.304 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -110.53 -31.04 7.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 132.32 46.3 0.12 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -120.86 -6.24 9.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.907 0.384 . . . . 0.0 110.901 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.423 ' HB3' ' C ' ' A' ' 32' ' ' ILE . 14.2 tptp -84.31 -24.8 29.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.658 HD11 ' OE2' ' A' ' 43' ' ' GLU . 7.6 tp -85.7 -46.86 10.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.401 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 6.0 pt20 -60.86 -42.75 98.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.972 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.401 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 4.3 t70 -66.44 -39.68 89.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.18 -54.37 30.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.658 ' OE2' HD11 ' A' ' 39' ' ' LEU . 30.1 mt-10 -48.2 -28.48 3.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.4 mt -88.29 -60.85 1.85 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -47.54 -34.73 7.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.7 p -99.45 -20.58 16.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.165 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 61.94 35.33 16.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.046 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 74.9 p -115.17 179.24 4.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -111.12 99.43 8.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.445 HD12 ' HG3' ' A' ' 43' ' ' GLU . 80.1 mt -88.25 116.07 29.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.158 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -115.15 107.82 15.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.64 HG23 ' HD2' ' A' ' 53' ' ' PRO . 53.9 mt -98.55 138.34 20.76 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.652 0.739 . . . . 0.0 111.087 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.64 ' HD2' HG23 ' A' ' 52' ' ' ILE . 54.1 Cg_endo -69.77 157.2 61.18 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.687 2.258 . . . . 0.0 112.41 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 38.8 mtt-85 -53.68 160.27 2.12 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.61 0.719 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.89 -7.64 21.6 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.653 2.235 . . . . 0.0 112.267 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -126.95 19.17 7.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.422 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 2.6 t70 -92.33 141.07 24.5 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.597 0.713 . . . . 0.0 110.825 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.422 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.8 Cg_endo -69.81 1.81 4.13 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.673 2.249 . . . . 0.0 112.335 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.7 m -101.98 120.47 40.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -115.85 28.07 8.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -114.41 118.0 32.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.638 HD12 HD11 ' A' ' 23' ' ' ILE . 40.4 mt -74.66 149.25 7.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.427 ' HD2' HG23 ' A' ' 20' ' ' THR . 6.7 tptm -110.84 136.3 50.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.897 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.532 HD12 HG23 ' A' ' 71' ' ' ILE . 1.0 OUTLIER -131.0 124.02 55.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.184 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.535 HG23 ' O ' ' A' ' 17' ' ' ALA . 33.5 m -129.85 142.35 50.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.175 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 154.77 -150.67 22.28 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.485 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 p -76.78 143.33 39.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.838 0.352 . . . . 0.0 111.166 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -41.08 -34.44 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.856 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -79.91 -44.86 19.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -57.04 -53.83 41.58 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.532 HG23 HD12 ' A' ' 64' ' ' ILE . 76.5 mt -56.39 -42.12 73.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 111.178 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -58.37 -46.71 85.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -56.27 -51.83 66.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.837 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.15 -37.07 84.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.107 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -69.65 -30.84 68.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 59.6 t60 -76.77 -30.83 56.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -81.15 -46.22 15.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.562 HG11 HG11 ' A' ' 21' ' ' VAL . 8.4 p -62.65 -31.95 53.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.075 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 15.7 mt -79.88 -41.49 26.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.0 mt -59.37 -41.12 88.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.92 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 22.1 mt -68.47 -50.94 51.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.198 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 24.1 p -57.91 -41.86 83.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.1 -54.06 51.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -46.29 -46.95 18.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.572 ' HG3' ' CD2' ' A' ' 27' ' ' HIS . 51.9 mm-40 -53.08 -48.96 67.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.959 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -49.68 -45.18 48.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 40.1 tttm -62.82 -57.38 11.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -71.01 171.91 10.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 87.8 p 41.65 40.35 1.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -173.72 -168.76 35.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.512 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 165.68 30.05 Favored 'Trans proline' 0 C--O 1.23 0.123 0 C-N-CA 122.775 2.317 . . . . 0.0 112.314 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 90.0 p -126.75 150.35 49.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.6 t -108.91 130.77 55.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.828 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.501 179.969 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.2 m -98.85 134.69 41.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.862 0.363 . . . . 0.0 110.863 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.7 p -170.81 158.71 6.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.41 52.69 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.473 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -97.62 117.98 33.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.854 0.359 . . . . 0.0 110.907 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.7 t -61.01 -57.15 13.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.34 134.27 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.52 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -163.01 123.78 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.36 . . . . 0.0 110.84 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.685 HD13 ' H ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -97.78 154.64 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.7 m -97.82 165.31 2.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.141 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -136.51 116.67 13.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 -136.98 170.87 15.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.447 HD23 ' H ' ' A' ' 13' ' ' LEU . 1.8 pt? -100.25 132.51 45.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -152.94 178.23 9.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.9 p -68.04 177.1 2.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.075 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.552 ' OE1' HG22 ' A' ' 65' ' ' THR . 3.1 pt20 -112.78 163.52 14.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -95.83 169.27 10.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.2 p -147.26 123.8 11.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.31 170.13 10.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.02 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.529 HG22 ' O ' ' A' ' 62' ' ' ILE . 1.2 p -139.13 148.26 43.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.183 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.643 HG11 HG11 ' A' ' 78' ' ' VAL . 5.3 p -123.79 106.94 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.73 117.6 7.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.721 HD11 HD12 ' A' ' 62' ' ' ILE . 5.3 pt -144.39 156.65 57.12 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.626 0.727 . . . . 0.0 111.133 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.536 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 54.0 Cg_endo -69.74 151.27 69.14 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.725 2.283 . . . . 0.0 112.319 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.2 tptp -58.46 -17.82 23.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.522 ' HG3' ' CD2' ' A' ' 27' ' ' HIS . 2.5 pt-20 -78.52 -21.15 49.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.536 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 66.6 m170 -95.07 -11.52 28.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -70.42 -33.03 70.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.403 ' HB3' ' NH1' ' A' ' 29' ' ' ARG . 1.1 ptp180 -76.85 -28.87 55.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -74.11 -9.3 58.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 27' ' ' HIS . 62.8 t -103.02 -26.03 3.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.412 HG22 ' HA2' ' A' ' 36' ' ' GLY . 59.8 mt -83.76 -39.67 15.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.49 160.84 11.87 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.482 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 35' ' ' ASN . 27.3 pttt -55.11 -44.88 75.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.686 0.279 . . . . 0.0 110.837 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.411 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 48.3 m-20 -111.07 -26.88 9.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.412 ' HA2' HG22 ' A' ' 32' ' ' ILE . . . 127.1 50.42 0.16 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.486 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -123.37 -24.83 4.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.958 0.408 . . . . 0.0 110.928 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -56.27 -55.4 33.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.405 HD11 ' HB ' ' A' ' 50' ' ' ILE . 8.7 tp -54.16 -42.82 70.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -55.05 -62.21 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -49.06 -36.43 18.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.4 mt -67.95 -56.41 9.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -49.05 -25.53 2.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.6 mt -89.0 -63.98 1.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -46.25 -37.46 7.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.423 HG21 ' HB2' ' A' ' 74' ' ' ALA . 14.4 p -97.7 -15.61 20.3 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.128 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 54.88 33.08 19.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.077 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 64.0 p -108.51 173.99 6.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.152 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -110.07 82.67 1.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.405 ' HB ' HD11 ' A' ' 39' ' ' LEU . 67.8 mt -72.2 135.59 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -131.92 107.71 8.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.627 HG23 ' HD2' ' A' ' 53' ' ' PRO . 43.6 mt -96.77 138.13 21.38 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.578 0.704 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.627 ' HD2' HG23 ' A' ' 52' ' ' ILE . 53.2 Cg_endo -69.87 160.3 50.18 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.641 2.227 . . . . 0.0 112.331 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -72.8 156.85 89.56 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.592 0.711 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -15.63 37.12 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.655 2.236 . . . . 0.0 112.33 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -95.06 -16.43 22.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.844 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.429 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 2.5 t70 -87.52 140.62 31.87 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.617 0.722 . . . . 0.0 110.883 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.429 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 54.4 Cg_endo -69.68 3.12 2.92 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 2.262 . . . . 0.0 112.377 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.5 m -88.54 123.15 32.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -126.06 26.97 6.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -109.77 118.53 36.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.961 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.721 HD12 HD11 ' A' ' 23' ' ' ILE . 46.6 mt -73.95 148.33 8.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.977 0.418 . . . . 0.0 111.115 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.427 ' HA ' HG22 ' A' ' 20' ' ' THR . 19.5 tttt -115.71 134.93 54.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.945 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.7 HD12 ' CG2' ' A' ' 71' ' ' ILE . 1.1 pt -127.84 126.89 67.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.136 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.552 HG22 ' OE1' ' A' ' 16' ' ' GLN . 5.6 m -129.29 138.33 51.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 157.59 -152.91 24.18 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.427 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 62.8 p -81.42 144.11 31.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.883 0.373 . . . . 0.0 111.185 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -40.68 -34.36 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -77.28 -44.03 31.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -61.93 -58.31 13.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.517 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.7 ' CG2' HD12 ' A' ' 64' ' ' ILE . 68.2 mt -51.59 -41.86 28.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.797 0.332 . . . . 0.0 111.141 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -54.34 -48.94 70.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -54.74 -56.77 15.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.004 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.423 ' HB2' HG21 ' A' ' 46' ' ' THR . . . -60.26 -37.09 79.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.047 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.8 ttp85 -68.58 -36.56 78.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -70.26 -28.82 65.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -82.84 -50.15 8.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.643 HG11 HG11 ' A' ' 21' ' ' VAL . 5.1 p -60.08 -29.97 44.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.188 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.8 mt -81.74 -35.45 29.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.7 mt -66.83 -46.55 74.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 40.9 mt -58.54 -58.76 5.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.178 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 64.1 p -52.82 -49.53 65.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -47.73 -54.7 11.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.082 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -50.77 -44.18 58.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.531 ' CB ' ' NE2' ' A' ' 27' ' ' HIS . 43.3 mm-40 -59.54 -52.29 66.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.91 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.423 ' OD1' ' C ' ' A' ' 86' ' ' ASP . 2.7 t0 -41.84 -42.04 2.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 23.2 ttmt -68.3 -66.19 0.6 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -63.21 146.14 54.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.822 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 34.3 t -68.06 -58.24 4.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 152.44 -95.08 0.15 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.43 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 92' ' ' SER . 53.8 Cg_endo -69.74 -11.23 30.43 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.67 2.247 . . . . 0.0 112.324 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 91' ' ' PRO . 1.2 t -35.5 137.89 0.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 79.3 p -61.34 128.94 38.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.811 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.464 179.965 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.5 m -83.46 111.53 19.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.341 . . . . 0.0 110.893 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.8 t -49.09 -50.69 35.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.828 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.59 147.61 11.13 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.466 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.3 p -156.89 145.79 20.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.947 0.403 . . . . 0.0 110.874 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -131.22 119.54 21.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.45 54.59 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.511 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -81.9 85.89 6.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.794 0.33 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.4 ' C ' HD12 ' A' ' 9' ' ' ILE . 2.7 pp -59.55 158.01 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.6 t -51.9 112.31 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.31 130.63 43.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.083 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -136.92 122.56 19.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.0 mp -109.71 96.11 6.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.965 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -73.35 -59.39 2.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.9 t -165.51 172.13 12.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.102 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -41.08 130.82 2.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -101.7 170.06 8.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.6 p -149.66 124.41 9.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.844 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -123.8 169.68 11.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.106 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.451 HG22 ' O ' ' A' ' 62' ' ' ILE . 1.8 p -139.05 160.55 39.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.45 HG11 HG11 ' A' ' 78' ' ' VAL . 2.7 p -134.19 111.85 15.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.01 112.2 5.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.103 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.764 HD11 HD12 ' A' ' 62' ' ' ILE . 5.8 pt -142.21 156.4 64.52 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.643 0.735 . . . . 0.0 111.14 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 140.76 43.37 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.645 2.23 . . . . 0.0 112.357 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.4 mmmm -53.57 -15.27 1.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.438 ' O ' ' NH1' ' A' ' 29' ' ' ARG . 2.9 pt-20 -75.63 -29.22 59.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.51 ' CE1' ' HB2' ' A' ' 85' ' ' GLN . 64.7 m170 -91.45 -9.76 43.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.777 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -64.86 -38.58 91.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.438 ' NH1' ' O ' ' A' ' 26' ' ' GLU . 3.5 ptp85 -73.01 -30.04 63.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -68.64 -19.71 64.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 88.9 t -93.18 -33.12 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.422 ' C ' ' HB3' ' A' ' 38' ' ' LYS . 92.3 mt -71.38 -43.24 73.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 34' ' ' LYS . . . 124.46 140.33 5.49 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.52 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 33' ' ' GLY . 44.5 tttm -37.93 -45.42 0.87 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.839 0.352 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -111.34 -28.73 8.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.2 44.02 0.26 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.441 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -126.06 -6.86 6.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.913 0.387 . . . . 0.0 110.879 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.422 ' HB3' ' C ' ' A' ' 32' ' ' ILE . 21.9 tptm -75.2 -48.63 22.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.7 tp -57.42 -46.77 83.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -49.28 -61.24 2.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -48.05 -43.36 30.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.1 mt -61.71 -53.45 55.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -49.07 -32.94 10.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 47' ' ' ALA . 28.4 mt -83.62 -66.9 0.84 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -40.11 -36.67 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 29.2 p -100.6 -16.52 17.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.167 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' LEU . . . 57.43 35.42 25.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 64.3 p -110.04 175.97 5.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.182 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -113.1 77.15 1.02 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 70.6 mt -66.61 126.48 26.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -123.73 114.95 20.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.637 HG23 ' HD2' ' A' ' 53' ' ' PRO . 38.0 mt -102.24 138.25 19.67 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.686 0.755 . . . . 0.0 111.122 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.637 ' HD2' HG23 ' A' ' 52' ' ' ILE . 53.4 Cg_endo -69.81 154.92 66.98 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.714 2.276 . . . . 0.0 112.318 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 35.2 mtp180 -67.53 158.8 81.27 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.559 0.695 . . . . 0.0 110.943 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -19.0 36.89 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.705 2.27 . . . . 0.0 112.352 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -90.33 -27.04 19.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.805 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.431 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 2.1 t70 -77.16 140.99 66.39 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.631 0.729 . . . . 0.0 110.817 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.431 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.9 Cg_endo -69.77 -0.11 6.45 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.73 2.287 . . . . 0.0 112.284 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.8 m -80.97 122.9 27.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -124.82 21.97 8.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -109.17 120.96 44.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.764 HD12 HD11 ' A' ' 23' ' ' ILE . 51.9 mt -73.99 149.94 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.17 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.444 ' HA ' HG22 ' A' ' 20' ' ' THR . 18.8 tttm -114.87 136.79 52.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.579 HD12 ' CG2' ' A' ' 71' ' ' ILE . 1.1 pt -131.28 115.15 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.16 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.9 m -118.26 133.04 56.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.533 ' H ' HD11 ' A' ' 71' ' ' ILE . . . 166.01 -146.3 10.89 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.533 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 47.7 p -83.4 164.52 19.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.368 . . . . 0.0 111.117 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -61.32 -30.11 70.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -87.01 -42.4 13.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.946 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -61.22 -56.6 22.82 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.579 ' CG2' HD12 ' A' ' 64' ' ' ILE . 78.6 mt -52.25 -43.29 39.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.82 0.343 . . . . 0.0 111.134 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -51.33 -59.67 3.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -45.57 -56.08 5.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.18 -41.34 83.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.152 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.44 ' O ' HD12 ' A' ' 79' ' ' LEU . 5.8 ttp-105 -65.74 -33.07 75.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 57.2 t60 -75.32 -34.95 61.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -74.22 -44.8 51.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.45 HG11 HG11 ' A' ' 21' ' ' VAL . 5.1 p -64.85 -38.36 82.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.44 HD12 ' O ' ' A' ' 75' ' ' ARG . 10.0 mt -71.24 -38.55 71.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.4 mt -62.76 -51.0 68.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 36.3 mt -55.24 -60.8 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 24.6 p -56.39 -43.74 79.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.83 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.49 -41.8 77.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.175 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -65.65 -40.45 92.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.51 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 62.3 mm-40 -56.96 -35.58 69.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.921 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -54.04 -34.32 59.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.92 -64.68 1.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.83 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -63.91 125.23 23.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.4 t -118.78 -47.9 2.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 164.29 151.45 6.53 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.409 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 117.84 5.32 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.672 2.248 . . . . 0.0 112.326 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 26.0 m -126.84 -54.85 1.4 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.1 t -55.65 135.01 51.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.798 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.221 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.45 179.934 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t 58.31 42.03 22.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.361 . . . . 0.0 110.889 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.0 p -83.28 109.22 17.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.01 145.68 7.72 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 t -146.52 148.52 32.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 110.814 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.7 p -173.51 176.34 2.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.809 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.9 155.87 9.01 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.517 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -169.58 135.78 1.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.746 0.308 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.485 HG22 ' H ' ' A' ' 12' ' ' ARG . 35.5 mt -65.49 129.29 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.156 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.7 m -87.43 52.32 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.188 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 58.7 45.96 15.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.145 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.485 ' H ' HG22 ' A' ' 9' ' ' ILE . 36.0 mtm180 -85.9 161.68 18.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 51.9 mt -67.81 172.26 5.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -116.1 79.77 1.36 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.9 m -133.37 146.09 50.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -52.38 137.59 28.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.442 ' O ' HG23 ' A' ' 65' ' ' THR . . . -101.44 165.34 11.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 p -149.28 124.21 9.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.86 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -119.45 170.39 9.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.044 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.432 HG22 ' O ' ' A' ' 62' ' ' ILE . 1.1 p -139.1 149.39 44.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.115 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.512 ' O ' HG13 ' A' ' 21' ' ' VAL . 5.5 p -124.96 109.9 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.6 115.93 8.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.792 HD11 HD12 ' A' ' 62' ' ' ILE . 2.5 pt -141.54 158.11 64.0 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.648 0.737 . . . . 0.0 111.129 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.546 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.2 Cg_endo -69.74 149.58 67.22 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.653 2.235 . . . . 0.0 112.381 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -11.59 10.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.432 ' O ' ' CE1' ' A' ' 30' ' ' PHE . 2.2 pt-20 -88.7 -11.72 44.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.546 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 59.2 m170 -105.7 -10.89 16.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.857 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -65.77 -47.39 75.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -62.77 -29.36 70.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.432 ' CE1' ' O ' ' A' ' 26' ' ' GLU . 23.8 m-85 -64.0 -32.72 74.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.516 HG21 HG23 ' A' ' 78' ' ' VAL . 77.5 t -79.91 -32.95 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.138 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.426 ' C ' ' HB3' ' A' ' 38' ' ' LYS . 96.8 mt -69.48 -44.93 79.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 119.13 164.16 12.65 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.443 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -39.55 -61.41 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.34 . . . . 0.0 110.935 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -111.25 -34.79 6.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 150.94 54.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.412 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -122.05 -45.49 2.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.351 . . . . 0.0 110.833 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.426 ' HB3' ' C ' ' A' ' 32' ' ' ILE . 14.4 tptm -41.58 -59.54 1.59 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.968 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.439 HD11 ' HB ' ' A' ' 50' ' ' ILE . 6.9 tp -51.24 -42.46 61.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 -54.59 -55.87 24.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -58.32 -45.99 87.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.9 mt -56.73 -55.07 38.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 47' ' ' ALA . 20.9 mt-10 -47.26 -41.38 18.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 47' ' ' ALA . 32.6 mt -74.66 -66.91 0.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.8 ttpt -42.18 -33.66 0.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.416 ' O ' HG23 ' A' ' 48' ' ' THR . 22.4 p -102.29 -15.31 16.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . 52.02 39.8 27.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.042 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 46' ' ' THR . 68.1 p -114.96 175.47 5.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.133 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -109.22 82.8 1.65 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.846 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.439 ' HB ' HD11 ' A' ' 39' ' ' LEU . 80.4 mt -72.58 128.2 35.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.165 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -127.74 110.31 12.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.96 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.499 HG23 ' HD2' ' A' ' 53' ' ' PRO . 36.3 mt -99.67 134.83 20.8 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.648 0.737 . . . . 0.0 111.156 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.499 ' HD2' HG23 ' A' ' 52' ' ' ILE . 53.9 Cg_endo -69.69 151.07 69.36 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.7 2.267 . . . . 0.0 112.308 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -58.18 157.62 16.28 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.629 0.728 . . . . 0.0 110.846 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.9 -17.35 36.99 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.665 2.243 . . . . 0.0 112.375 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -97.55 -22.73 16.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -69.98 139.28 87.87 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.623 0.725 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 3.2 2.89 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.717 2.278 . . . . 0.0 112.385 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.445 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 12.7 m -97.61 118.9 35.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.817 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -118.8 30.83 6.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -112.0 119.56 38.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.792 HD12 HD11 ' A' ' 23' ' ' ILE . 43.8 mt -74.56 148.1 8.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -112.89 134.24 54.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.582 ' HB ' HG23 ' A' ' 71' ' ' ILE . 1.1 pt -130.46 120.3 48.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.155 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 17' ' ' ALA . 30.3 m -125.3 145.81 49.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.066 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.419 ' H ' HD11 ' A' ' 71' ' ' ILE . . . 153.6 -150.25 21.9 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.409 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 75.2 p -78.59 144.04 35.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.894 0.378 . . . . 0.0 111.054 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -39.41 -36.66 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -80.97 -42.58 21.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -56.6 -59.28 11.05 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.582 HG23 ' HB ' ' A' ' 64' ' ' ILE . 71.8 mt -53.2 -44.99 54.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.779 0.323 . . . . 0.0 111.119 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -53.12 -48.07 68.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -54.19 -57.79 9.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.805 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.18 -34.9 75.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.606 ' O ' HD12 ' A' ' 79' ' ' LEU . 26.8 ttp85 -68.77 -35.03 76.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 35.6 t60 -75.15 -39.57 60.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.796 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -70.67 -49.55 46.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.516 HG23 HG21 ' A' ' 31' ' ' VAL . 9.8 p -58.01 -35.19 51.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.606 HD12 ' O ' ' A' ' 75' ' ' ARG . 13.2 mt -75.47 -39.01 59.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.8 mt -62.41 -41.51 98.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 19.1 mt -65.85 -57.46 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.8 t -52.85 -45.03 67.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.45 -54.78 39.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.032 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -51.08 -43.02 60.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.464 ' CB ' ' NE2' ' A' ' 27' ' ' HIS . 76.5 mm-40 -56.16 -54.34 46.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -40.78 -43.46 2.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 53.1 tttt -63.68 -50.63 68.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -64.99 141.74 58.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.7 m 46.2 40.07 6.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -149.73 -158.14 8.01 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.54 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 93.64 0.52 Allowed 'Trans proline' 0 C--N 1.34 0.118 0 C-N-CA 122.717 2.278 . . . . 0.0 112.362 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.7 m -72.94 118.5 15.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 54.5 m -99.24 135.59 40.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.787 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.452 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.427 -0.269 . . . . 0.0 112.427 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -82.25 -60.82 2.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.818 0.342 . . . . 0.0 110.849 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.0 m 61.6 41.86 11.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.71 79.39 0.28 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.515 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.4 p -134.23 148.2 50.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.856 0.36 . . . . 0.0 110.959 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.3 m 43.83 42.81 4.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.12 -89.26 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.7 t0 47.82 51.2 14.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.738 0.304 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.489 HD13 ' N ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -68.26 153.52 8.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.405 HG22 ' N ' ' A' ' 11' ' ' ALA . 12.3 p -112.37 154.37 13.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.405 ' N ' HG22 ' A' ' 10' ' ' VAL . . . -72.74 113.43 9.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.134 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -93.78 141.87 28.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 33.6 mt -146.36 163.25 36.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.96 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -126.82 73.88 1.44 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.9 p -120.68 165.41 15.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -130.82 139.58 50.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.968 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.42 ' O ' HD11 ' A' ' 71' ' ' ILE . . . -110.88 162.72 14.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.143 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 p -149.38 124.7 10.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -116.89 175.32 5.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.087 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.529 HG22 ' O ' ' A' ' 62' ' ' ILE . 0.8 OUTLIER -139.21 154.81 48.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.191 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.503 ' O ' HG13 ' A' ' 21' ' ' VAL . 5.1 p -129.56 110.46 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.198 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.39 111.41 5.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 1.067 HD11 HD12 ' A' ' 62' ' ' ILE . 2.9 pt -143.15 156.38 61.46 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.677 0.751 . . . . 0.0 111.111 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.531 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.6 Cg_endo -69.7 140.89 44.03 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.82 2.347 . . . . 0.0 112.282 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.6 mtmm -55.83 -13.48 1.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.822 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -79.56 -25.0 41.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.531 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 67.4 m170 -90.77 -17.94 25.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.83 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -54.78 -36.76 65.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -64.74 -41.75 95.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -58.62 -25.06 62.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.4 t -88.28 -36.99 9.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.13 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.414 ' C ' ' HB3' ' A' ' 38' ' ' LYS . 87.9 mt -67.82 -42.22 85.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.08 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 116.19 168.1 15.04 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.49 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -58.38 -51.85 68.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.734 0.302 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -109.27 -17.37 13.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 122.02 54.52 0.22 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -128.45 -30.19 2.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.938 0.399 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.414 ' HB3' ' C ' ' A' ' 32' ' ' ILE . 13.1 tptm -56.11 -24.36 40.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.4 tp -89.29 -42.97 11.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -64.82 -40.74 95.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -70.85 -36.88 73.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.0 mt -63.8 -51.45 64.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -55.78 -31.06 62.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 42.0 mt -80.02 -63.65 1.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.7 ttpp -47.17 -38.47 11.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.2 p -95.02 -19.99 19.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.165 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 61.74 47.3 6.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.143 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 65.3 p -123.91 176.75 6.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -112.25 85.35 2.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 60.7 mt -77.92 130.16 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.064 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -127.48 109.18 11.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.502 HG23 ' HD2' ' A' ' 53' ' ' PRO . 81.1 mt -97.55 134.32 22.65 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.645 0.736 . . . . 0.0 111.162 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.502 ' HD2' HG23 ' A' ' 52' ' ' ILE . 53.7 Cg_endo -69.72 152.57 69.52 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.726 2.284 . . . . 0.0 112.359 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -60.78 156.97 42.29 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.516 0.674 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -2.39 10.14 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.687 2.258 . . . . 0.0 112.306 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -116.03 -6.21 11.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.432 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.4 t70 -87.0 141.11 32.98 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.558 0.694 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.432 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 54.5 Cg_endo -69.69 2.9 3.08 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.667 2.245 . . . . 0.0 112.392 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.466 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 36.4 m -92.23 120.35 32.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.776 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -117.45 5.69 12.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -98.63 119.12 36.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 1.067 HD12 HD11 ' A' ' 23' ' ' ILE . 43.9 mt -76.83 151.98 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.178 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.409 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 26.2 ttpt -114.68 129.5 56.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.861 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.606 ' HB ' HG23 ' A' ' 71' ' ' ILE . 1.1 pt -123.33 116.98 50.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.138 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 60.6 m -118.01 139.17 51.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.624 ' H ' HD11 ' A' ' 71' ' ' ILE . . . 160.09 -155.93 27.11 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.527 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 69' ' ' GLU . 34.7 p -76.75 139.64 40.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.909 0.385 . . . . 0.0 111.127 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 67' ' ' THR . 8.0 tmtt? -36.45 -30.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 67' ' ' THR . 18.5 mm-40 -83.43 -46.68 12.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 67' ' ' THR . . . -57.12 -60.81 8.35 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.432 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.624 HD11 ' H ' ' A' ' 66' ' ' GLY . 73.6 mt -49.48 -42.72 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 0.0 111.088 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -55.53 -52.47 63.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.962 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 30.3 mttp -51.09 -55.0 19.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.62 -36.53 83.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.1 ttp85 -67.47 -33.12 74.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -74.07 -41.79 61.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -67.8 -51.71 45.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.416 HG11 HG11 ' A' ' 21' ' ' VAL . 4.5 p -56.57 -34.13 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.082 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.1 mt -77.21 -41.73 40.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.1 mt -60.28 -43.55 96.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 25.1 mt -66.3 -54.99 20.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.4 t -53.85 -47.43 71.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.55 -47.08 76.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.095 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -52.37 -41.55 63.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.434 ' HB2' ' NE2' ' A' ' 27' ' ' HIS . 50.6 mm-40 -66.63 -42.96 85.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.35 -33.82 6.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.794 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -67.25 -66.11 0.6 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.86 166.38 1.47 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.847 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 27.0 t -136.66 156.39 48.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -130.49 -158.2 9.24 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.471 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 163.96 36.36 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.726 2.284 . . . . 0.0 112.26 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.1 t -74.95 164.8 26.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 64.5 p -63.88 118.48 8.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.448 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 1' ' ' GLY . 1.9 m 34.52 50.45 0.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.865 0.364 . . . . 0.0 110.792 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.9 m -97.29 119.95 36.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.827 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.82 -161.74 27.53 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.522 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.3 p -149.48 169.2 21.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.867 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.2 p -147.87 141.39 25.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.12 104.94 1.03 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.438 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.89 138.14 33.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.819 0.342 . . . . 0.0 110.868 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 46.3 mm -103.23 124.77 57.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.5 m -89.53 47.39 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.149 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.82 155.7 3.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.422 ' HB3' ' NH1' ' A' ' 12' ' ' ARG . 5.1 mmm180 -112.99 130.79 56.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.5 mp -102.6 115.33 30.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -96.13 -53.55 3.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.95 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.5 p -99.75 171.26 8.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.094 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -120.02 150.27 40.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.54 ' O ' HD11 ' A' ' 71' ' ' ILE . . . -115.24 151.05 35.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.078 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.471 ' HB3' HG23 ' A' ' 65' ' ' THR . 4.0 p -137.05 126.21 24.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -118.94 174.1 6.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.179 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 p -139.09 157.7 45.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.125 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.522 ' O ' HG13 ' A' ' 21' ' ' VAL . 4.7 p -132.73 105.57 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.79 114.98 4.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.079 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.74 HD11 HD12 ' A' ' 62' ' ' ILE . 10.3 pt -144.55 155.31 56.95 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.653 0.739 . . . . 0.0 111.114 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.468 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.1 Cg_endo -69.84 145.28 56.23 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.7 2.266 . . . . 0.0 112.319 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -57.74 -11.9 2.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.401 ' OE2' ' O ' ' A' ' 26' ' ' GLU . 3.1 tp10 -80.45 -31.59 37.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.475 ' NE2' ' CB ' ' A' ' 85' ' ' GLN . 64.9 m170 -86.65 -16.61 36.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -56.69 -54.54 44.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -50.08 -42.39 49.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -57.38 -31.44 65.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.826 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.1 t -78.4 -36.55 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.173 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.408 ' C ' ' HB3' ' A' ' 38' ' ' LYS . 41.9 mt -72.52 -41.36 63.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.116 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.2 148.46 8.8 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.531 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 35' ' ' ASN . 37.1 pttt -47.31 -43.07 22.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.717 0.294 . . . . 0.0 110.871 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.425 ' N ' ' HG3' ' A' ' 34' ' ' LYS . 1.0 OUTLIER -109.8 -25.85 10.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.885 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 123.18 51.0 0.21 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.53 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -126.51 -28.11 3.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.892 0.377 . . . . 0.0 110.91 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.408 ' HB3' ' C ' ' A' ' 32' ' ' ILE . 25.2 tptt -56.17 -26.41 50.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.7 tp -87.65 -43.87 11.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -63.69 -38.74 92.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -72.51 -33.61 67.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.6 mt -70.84 -51.32 27.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -52.35 -29.38 23.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.1 mt -83.89 -65.89 0.96 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.969 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.7 ttpp -45.29 -35.8 3.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.441 HG21 ' HB2' ' A' ' 74' ' ' ALA . 27.8 p -99.54 -11.2 21.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.133 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 50.58 42.91 27.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.411 HG23 ' O ' ' A' ' 46' ' ' THR . 53.7 p -116.39 -178.82 3.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.21 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.3 tppt? -116.21 82.38 1.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 73.7 mt -75.37 119.99 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.104 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -121.6 107.07 11.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.679 HG23 ' HD2' ' A' ' 53' ' ' PRO . 56.1 mt -91.68 138.64 25.01 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.556 0.693 . . . . 0.0 111.17 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.679 ' HD2' HG23 ' A' ' 52' ' ' ILE . 52.9 Cg_endo -69.87 145.89 57.91 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.686 2.257 . . . . 0.0 112.315 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 29.1 mtt85 -57.36 156.78 14.5 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.565 0.698 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.67 -13.03 34.29 Favored 'Trans proline' 0 C--O 1.231 0.125 0 C-N-CA 122.672 2.248 . . . . 0.0 112.385 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -97.26 -24.51 15.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.432 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.4 t70 -77.7 141.12 64.14 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.574 0.702 . . . . 0.0 110.847 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.432 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 54.1 Cg_endo -69.72 0.35 5.75 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.702 2.268 . . . . 0.0 112.32 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.467 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 16.8 m -83.23 120.54 25.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.839 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -121.54 21.23 10.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -108.62 121.78 45.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.74 HD12 HD11 ' A' ' 23' ' ' ILE . 53.4 mt -75.26 149.28 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -113.92 132.51 55.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.462 ' HB ' HG23 ' A' ' 71' ' ' ILE . 1.1 pt -127.61 114.94 37.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.471 HG23 ' HB3' ' A' ' 18' ' ' SER . 7.6 m -125.33 138.42 54.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.452 ' H ' HD11 ' A' ' 71' ' ' ILE . . . 161.57 -141.51 7.35 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.494 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.2 p -81.21 139.62 35.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.863 0.363 . . . . 0.0 111.124 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.0 ttmt -42.61 -33.65 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.959 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -83.58 -35.5 24.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.51 -52.4 35.27 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.54 HD11 ' O ' ' A' ' 17' ' ' ALA . 83.0 mt -55.01 -48.31 75.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.796 0.331 . . . . 0.0 111.117 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -53.46 -44.17 68.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -58.38 -53.6 56.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.793 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.441 ' HB2' HG21 ' A' ' 46' ' ' THR . . . -64.17 -33.77 76.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -68.97 -37.08 78.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -71.19 -33.51 70.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -76.88 -50.92 12.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.6 p -56.96 -37.85 56.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.173 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.5 mt -73.82 -39.76 63.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.1 mt -61.19 -41.44 96.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.981 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 21.0 mt -69.93 -49.11 59.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.162 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 67.1 p -60.04 -42.14 93.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.89 -55.55 33.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.055 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -45.65 -43.76 12.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.475 ' CB ' ' NE2' ' A' ' 27' ' ' HIS . 71.5 mm-40 -54.85 -41.81 71.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -61.67 -34.4 75.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -69.29 -36.78 77.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -43.0 -50.62 5.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 82.5 p -147.59 113.02 5.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -146.51 -157.19 7.22 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.503 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 93.18 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.719 2.28 . . . . 0.0 112.327 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.6 m 39.14 41.23 0.58 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.1 p -104.66 137.21 42.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.83 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.525 179.985 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -86.1 -47.48 9.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 0.0 110.846 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.4 p -73.09 -53.67 10.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 101.65 97.0 2.3 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 4' ' ' GLY . 8.2 m -37.19 115.86 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.868 0.366 . . . . 0.0 110.88 -179.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.5 t -114.54 131.35 56.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.84 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.6 143.88 5.96 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.462 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.426 ' C ' ' OD1' ' A' ' 8' ' ' ASP . 37.6 t0 -139.33 119.48 13.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.762 0.315 . . . . 0.0 110.847 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.5 mt -84.16 135.12 25.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.8 p -118.22 144.59 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.179 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -171.75 112.84 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -51.82 174.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.457 HD23 ' H ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -116.46 127.32 54.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.472 ' O ' HG23 ' A' ' 15' ' ' THR . 13.1 pt20 -70.52 -47.31 61.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.472 HG23 ' O ' ' A' ' 14' ' ' GLN . 9.2 p -157.34 -179.17 7.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -41.85 137.14 1.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.965 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -112.21 152.49 28.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.044 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.2 p -141.58 128.49 20.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.81 170.76 9.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.463 HG22 ' HA ' ' A' ' 63' ' ' LYS . 2.4 p -138.98 159.35 42.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.529 ' O ' HG13 ' A' ' 21' ' ' VAL . 5.7 p -132.97 107.58 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.11 116.22 6.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.062 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.763 HD11 HD12 ' A' ' 62' ' ' ILE . 8.5 pt -145.83 155.69 52.01 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.613 0.72 . . . . 0.0 111.195 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.522 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.4 Cg_endo -69.71 139.41 40.33 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.423 ' HZ2' ' HB3' ' A' ' 25' ' ' LYS . 1.2 mmmp? -51.03 -17.74 0.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.84 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -74.36 -33.45 63.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.522 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 63.0 m170 -85.42 -12.24 52.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -63.07 -42.35 99.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -66.41 -19.45 65.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -80.02 -26.8 39.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.5 t -82.44 -32.72 10.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.156 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.454 HG22 ' HA2' ' A' ' 36' ' ' GLY . 78.7 mt -72.33 -44.18 63.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.123 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 34' ' ' LYS . . . 122.98 162.98 11.67 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 33' ' ' GLY . 21.6 tttt -37.27 -61.46 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.771 0.319 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 -112.08 -34.42 5.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.454 ' HA2' HG22 ' A' ' 32' ' ' ILE . . . 150.12 57.1 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.469 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -130.45 -44.26 1.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.898 0.38 . . . . 0.0 110.879 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.5 tptt -40.07 -57.51 1.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.5 tp -53.51 -44.57 69.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.941 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.8 mm100 -49.75 -57.45 7.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.98 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -56.08 -45.22 79.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.7 mt -55.73 -59.91 4.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 47' ' ' ALA . 29.8 mt-10 -42.09 -39.28 1.92 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 47' ' ' ALA . 20.9 mt -76.73 -66.62 0.79 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -40.17 -36.49 0.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 20.1 p -101.0 -17.16 16.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . 57.41 34.52 24.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 63.3 p -109.68 173.69 6.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.5 tppt? -109.29 86.14 2.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 77.3 mt -78.59 120.78 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.122 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -121.27 112.91 19.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.649 HG23 ' HD2' ' A' ' 53' ' ' PRO . 51.8 mt -96.39 138.02 21.54 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.614 0.721 . . . . 0.0 111.12 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.649 ' HD2' HG23 ' A' ' 52' ' ' ILE . 53.3 Cg_endo -69.77 151.7 69.07 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.655 2.237 . . . . 0.0 112.306 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -61.2 155.64 55.0 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.59 0.709 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -9.83 27.1 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.682 2.255 . . . . 0.0 112.332 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -103.21 -21.61 13.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.849 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.427 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.5 t70 -75.82 141.27 71.71 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.614 0.721 . . . . 0.0 110.788 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.6 Cg_endo -69.75 -0.53 7.04 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.715 2.276 . . . . 0.0 112.371 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.497 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 9.0 m -90.02 113.22 24.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 -113.57 25.21 11.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -109.07 122.14 46.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.763 HD12 HD11 ' A' ' 23' ' ' ILE . 46.9 mt -74.67 150.32 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.098 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.463 ' HA ' HG22 ' A' ' 20' ' ' THR . 17.5 tttp -114.25 139.38 49.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.573 ' HB ' HG23 ' A' ' 71' ' ' ILE . 1.0 OUTLIER -136.1 115.2 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.845 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 98.0 m -120.65 150.11 41.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 149.7 -143.87 11.32 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.446 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 57.8 p -80.74 163.88 23.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.853 0.358 . . . . 0.0 111.127 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.2 mmmt -63.56 -24.64 67.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -92.29 -36.78 13.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.19 -55.91 21.09 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.42 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.573 HG23 ' HB ' ' A' ' 64' ' ' ILE . 71.9 mt -54.89 -46.63 75.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.786 0.327 . . . . 0.0 111.14 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -52.42 -46.83 66.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -56.49 -54.13 49.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.35 -35.77 80.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.101 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.408 ' HG3' HD11 ' A' ' 64' ' ' ILE . 7.3 ttm180 -68.16 -41.43 81.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -69.8 -27.92 65.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -82.92 -49.73 9.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.436 HG11 HG11 ' A' ' 21' ' ' VAL . 4.3 p -59.13 -37.18 66.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.5 mt -72.05 -42.2 66.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.6 mt -58.2 -52.48 65.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.93 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 31.6 mt -60.48 -53.12 53.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.8 m -55.2 -36.43 65.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.06 -53.69 41.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.099 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -46.23 -41.36 12.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.505 ' CB ' ' NE2' ' A' ' 27' ' ' HIS . 70.8 mm-40 -57.47 -46.34 83.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.922 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -40.74 -42.41 1.76 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 41.2 tttt -62.75 -50.86 69.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -89.17 89.24 7.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.824 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 32.8 t -158.19 169.63 24.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.811 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 88.23 -178.88 46.47 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.527 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -16.12 37.29 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.712 2.275 . . . . 0.0 112.304 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.0 m -60.7 142.88 55.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.848 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 78.6 p -84.07 136.99 33.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.805 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.8 p -171.63 167.16 6.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.363 . . . . 0.0 110.86 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.5 p -155.85 176.68 12.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.872 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.31 -164.37 10.67 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.405 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 t -158.1 173.41 16.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.964 0.411 . . . . 0.0 110.829 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -143.14 155.24 44.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.798 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.19 100.39 0.29 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.44 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -123.18 90.14 3.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.714 0.293 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.8 mt -95.97 121.17 46.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.6 t -120.82 127.39 75.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.159 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -151.4 171.7 17.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -56.45 111.06 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.85 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.7 mt -141.12 128.21 20.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -73.0 -49.12 30.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 26.4 m -61.22 151.99 30.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -57.18 150.61 17.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -123.16 161.56 24.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.083 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.562 ' HB2' HG23 ' A' ' 65' ' ' THR . 30.1 t -150.41 156.36 41.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -140.96 170.27 16.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.098 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.496 HG22 ' HA ' ' A' ' 63' ' ' LYS . 3.3 p -138.98 155.99 47.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.514 ' O ' HG13 ' A' ' 21' ' ' VAL . 6.1 p -132.64 109.38 14.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.5 ' HB2' ' OE1' ' A' ' 61' ' ' GLN . . . -63.53 115.15 4.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.019 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.853 HD11 HD12 ' A' ' 62' ' ' ILE . 5.4 pt -142.37 155.71 64.25 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.665 0.745 . . . . 0.0 111.106 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.536 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.7 Cg_endo -69.79 137.96 36.59 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.687 2.258 . . . . 0.0 112.273 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.8 mmmm -51.54 -16.48 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.965 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -76.3 -32.46 58.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.536 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 61.4 m170 -87.51 -11.25 49.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -61.68 -43.22 99.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.467 ' HG3' ' N ' ' A' ' 30' ' ' PHE . 14.2 ptm180 -61.87 -37.51 84.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.467 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 24.1 m-85 -62.04 -32.02 72.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.407 ' CG2' HG23 ' A' ' 78' ' ' VAL . 87.0 t -75.63 -33.92 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.156 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 95.7 mt -72.67 -44.89 59.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.081 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.88 157.36 9.77 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.507 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -49.47 -60.11 3.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.742 0.306 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -110.5 6.39 21.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 97.67 63.37 0.89 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -132.88 -36.48 1.04 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.998 0.428 . . . . 0.0 110.892 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.8 -66.31 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.5 tp -44.31 -43.49 7.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.994 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -57.71 -56.63 19.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.913 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -58.45 -41.69 85.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 42' ' ' LEU . 11.8 mt -60.97 -53.12 61.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.486 ' O ' ' N ' ' A' ' 47' ' ' ALA . 23.8 mt-10 -49.7 -40.87 41.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.8 mt -75.33 -65.0 0.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.961 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -44.4 -34.9 2.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 22.1 p -99.99 -18.46 17.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.173 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . 57.96 34.85 24.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.038 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 77.9 p -111.12 172.73 6.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -110.31 83.67 1.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.819 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.43 HD12 ' HG3' ' A' ' 43' ' ' GLU . 43.3 mt -72.21 140.39 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.113 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -136.34 115.91 12.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.493 HG23 ' HD2' ' A' ' 53' ' ' PRO . 50.5 mt -103.56 134.51 19.71 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.64 0.733 . . . . 0.0 111.163 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.493 ' HD2' HG23 ' A' ' 52' ' ' ILE . 54.0 Cg_endo -69.68 154.31 68.22 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.697 2.265 . . . . 0.0 112.41 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.6 mtp85 -64.01 158.73 60.95 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.607 0.718 . . . . 0.0 110.831 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -16.86 37.79 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.732 2.288 . . . . 0.0 112.313 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -95.98 -24.32 16.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.426 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 4.3 t70 -71.74 140.9 84.25 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.555 0.693 . . . . 0.0 110.874 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.426 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.5 Cg_endo -69.8 -1.29 8.26 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.7 2.266 . . . . 0.0 112.34 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.4 m -88.25 121.91 31.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -122.61 24.44 9.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.5 ' OE1' ' HB2' ' A' ' 22' ' ' ALA . 14.1 mt-30 -112.01 120.75 42.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.953 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.853 HD12 HD11 ' A' ' 23' ' ' ILE . 50.8 mt -73.71 149.69 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.158 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.496 ' HA ' HG22 ' A' ' 20' ' ' THR . 22.3 tttt -115.33 139.92 49.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.553 HD12 ' CG2' ' A' ' 71' ' ' ILE . 1.0 OUTLIER -133.32 122.11 43.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 179.872 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.562 HG23 ' HB2' ' A' ' 18' ' ' SER . 3.7 m -120.83 143.97 48.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.166 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 153.71 -143.69 10.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.469 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.3 p -94.2 147.95 22.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.916 0.389 . . . . 0.0 111.12 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -40.24 -35.22 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -76.25 -60.22 2.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -49.0 -56.48 10.04 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.445 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.553 ' CG2' HD12 ' A' ' 64' ' ' ILE . 68.1 mt -53.19 -42.16 45.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.77 0.319 . . . . 0.0 111.102 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -55.54 -58.83 6.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -47.81 -51.21 23.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.955 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.26 -41.54 98.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.044 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.46 ' NH1' HD11 ' A' ' 79' ' ' LEU . 26.5 ttt-85 -67.42 -30.34 70.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -78.03 -31.79 50.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -79.54 -45.45 19.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.407 HG23 ' CG2' ' A' ' 31' ' ' VAL . 9.5 p -63.18 -34.63 67.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.144 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.46 HD11 ' NH1' ' A' ' 75' ' ' ARG . 11.1 mt -76.15 -43.61 42.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.2 mt -58.89 -43.83 91.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 19.1 mt -69.97 -43.53 79.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.1 m -64.89 -38.65 91.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.15 -54.51 36.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -42.25 -48.33 4.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.49 ' CB ' ' NE2' ' A' ' 27' ' ' HIS . 84.0 mm-40 -50.76 -53.36 32.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.928 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -41.66 -50.94 4.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 88' ' ' ARG . 1.3 tmtp? -54.36 -53.04 59.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.981 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 89' ' ' SER . 76.7 mtp180 -37.21 129.24 0.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.786 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 88' ' ' ARG . 13.8 t -36.06 131.62 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 167.15 84.12 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.497 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -0.43 6.86 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.673 2.249 . . . . 0.0 112.398 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.2 m -40.36 158.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.2 m -64.26 143.25 58.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.898 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.432 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.4 m -147.89 135.6 20.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.897 0.38 . . . . 0.0 110.826 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.9 p -162.16 163.52 28.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.813 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.8 123.07 1.52 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.429 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 p -102.11 -35.76 8.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.847 0.356 . . . . 0.0 110.793 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.7 p 46.1 45.17 12.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.839 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.15 73.49 0.28 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.484 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -160.25 147.33 16.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.683 0.278 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.447 ' O ' ' C ' ' A' ' 10' ' ' VAL . 74.4 mt -38.26 129.74 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 9' ' ' ILE . 7.9 p -34.15 139.74 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -153.42 170.22 21.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.052 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.0 mtt180 -144.63 154.54 42.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.869 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.412 ' N ' HD23 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -120.56 170.84 9.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -111.25 -35.26 5.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.974 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.6 p -51.57 174.46 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -80.3 149.43 30.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.538 ' O ' HD11 ' A' ' 71' ' ' ILE . . . -96.33 154.44 17.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.126 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.3 p -147.36 121.33 9.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -116.68 175.73 5.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 p -139.04 153.01 48.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.478 ' CG1' ' HB ' ' A' ' 62' ' ' ILE . 3.9 p -126.41 110.89 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.45 112.45 6.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.091 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 1.008 HD11 HD12 ' A' ' 62' ' ' ILE . 4.3 pt -146.63 156.43 48.69 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.613 0.72 . . . . 0.0 111.13 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.414 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.8 Cg_endo -69.8 140.17 41.86 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.72 2.28 . . . . 0.0 112.29 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.4 mttp -53.62 -15.6 1.24 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.883 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -76.13 -29.99 58.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.491 ' NE2' ' CB ' ' A' ' 85' ' ' GLN . 65.7 m170 -87.09 -15.36 38.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.979 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -57.13 -40.88 78.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -63.5 -36.91 85.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -62.98 -18.06 62.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.0 t -92.92 -17.19 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.13 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.532 HG22 ' HA2' ' A' ' 36' ' ' GLY . 26.0 mt -95.24 -32.23 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.451 ' CA ' ' HB2' ' A' ' 38' ' ' LYS . . . 104.8 168.69 24.35 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.489 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm -71.75 -33.99 69.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.833 0.349 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -110.75 -10.39 14.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.532 ' HA2' HG22 ' A' ' 32' ' ' ILE . . . 99.79 43.76 2.4 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.461 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -119.94 -16.48 8.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.943 0.401 . . . . 0.0 110.943 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.56 ' HE3' HD11 ' A' ' 42' ' ' LEU . 2.8 tmtm? -64.47 -43.86 92.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.8 tp -71.41 -46.8 59.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.474 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 7.5 pt20 -60.56 -46.67 89.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.474 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 6.3 t70 -61.96 -38.86 90.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.56 HD11 ' HE3' ' A' ' 38' ' ' LYS . 11.9 mt -64.95 -56.1 15.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.731 ' HG3' HD12 ' A' ' 50' ' ' ILE . 71.1 mt-10 -52.24 -18.15 1.42 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.4 mt -93.27 -58.03 2.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -49.73 -43.18 47.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 35.5 p -93.47 -19.78 20.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.194 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 62.84 40.08 10.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.094 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 62.1 p -113.38 177.56 4.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.161 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.98 96.05 5.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.828 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.731 HD12 ' HG3' ' A' ' 43' ' ' GLU . 53.7 mt -87.37 128.48 39.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -122.23 104.16 9.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.952 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 38.4 mt -91.51 127.67 49.71 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.582 0.706 . . . . 0.0 111.181 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.497 ' CG ' ' O ' ' A' ' 59' ' ' SER . 54.0 Cg_endo -69.75 152.71 69.41 Favored 'Trans proline' 0 C--O 1.231 0.128 0 C-N-CA 122.653 2.235 . . . . 0.0 112.369 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -61.16 156.07 51.91 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.699 0.761 . . . . 0.0 110.854 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -4.37 13.88 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.733 2.288 . . . . 0.0 112.318 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.33 -7.08 14.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.814 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.428 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.5 t70 -87.01 140.87 32.86 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.633 0.73 . . . . 0.0 110.81 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.5 Cg_endo -69.76 2.81 3.2 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.708 2.272 . . . . 0.0 112.354 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.497 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 42.1 m -96.67 109.22 21.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 -107.52 12.28 27.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -102.01 121.42 42.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 1.008 HD12 HD11 ' A' ' 23' ' ' ILE . 49.6 mt -74.53 152.13 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.078 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.414 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 59.9 tttt -114.06 130.72 56.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.624 ' HB ' HG23 ' A' ' 71' ' ' ILE . 1.1 pt -125.68 120.12 56.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.3 m -124.34 146.29 48.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.158 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.523 ' H ' HD11 ' A' ' 71' ' ' ILE . . . 153.85 -146.57 14.96 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.546 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 69' ' ' GLU . 76.4 p -82.4 139.93 33.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.829 0.347 . . . . 0.0 111.196 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.418 ' HD2' ' C ' ' A' ' 68' ' ' LYS . 5.0 tmmm? -37.09 -30.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.858 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 67' ' ' THR . 23.0 mt-10 -85.49 -45.89 11.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 67' ' ' THR . . . -56.08 -52.96 45.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.448 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.624 HG23 ' HB ' ' A' ' 64' ' ' ILE . 65.9 mt -60.07 -42.8 91.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.766 0.317 . . . . 0.0 111.135 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -56.29 -48.92 75.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -57.4 -53.32 59.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.65 -36.98 80.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.06 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -66.74 -39.81 88.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 56.1 t60 -68.55 -36.76 79.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -73.69 -50.66 19.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.2 p -61.06 -29.26 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.5 mt -81.18 -38.87 26.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.947 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 80' ' ' LEU . 13.8 mt -65.24 -44.95 86.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 45.6 mt -64.11 -58.39 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.0 m -52.89 -39.1 62.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.11 -50.55 72.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.059 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -57.77 -28.63 64.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.491 ' CB ' ' NE2' ' A' ' 27' ' ' HIS . 50.5 mm-40 -64.32 -42.12 96.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -54.54 -14.95 1.45 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 88' ' ' ARG . 2.8 ttpm? -98.97 -70.02 0.74 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 87' ' ' LYS . 4.5 mmp_? 35.4 41.18 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.861 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 43.5 t -105.37 140.01 39.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 68.53 83.63 0.14 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.436 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.66 -32.6 18.66 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.663 2.242 . . . . 0.0 112.379 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 17.4 m -92.84 133.26 36.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.818 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.8 t -101.22 90.05 4.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.488 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 m -126.62 163.39 23.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.825 0.345 . . . . 0.0 110.898 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.8 p -107.69 -53.79 2.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.48 130.21 0.28 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.416 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.8 m -146.9 137.32 23.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.881 0.372 . . . . 0.0 110.86 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -130.75 147.18 52.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.831 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.15 -168.37 18.31 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.464 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.44 166.64 21.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.859 0.361 . . . . 0.0 110.82 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.2 mp -82.99 142.3 13.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.5 t -74.78 107.87 5.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.185 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -141.57 121.06 13.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.13 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 48.9 mtm180 -139.22 111.08 7.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 28.1 mt -69.13 139.87 54.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -164.51 152.7 12.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.5 p -48.89 176.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -74.28 157.96 34.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -117.46 159.67 22.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.117 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.4 p -142.63 128.6 19.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.918 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.46 175.13 6.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.087 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.6 p -138.88 154.09 48.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.21 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.519 ' O ' HG13 ' A' ' 21' ' ' VAL . 4.9 p -129.01 106.87 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.148 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.66 115.15 5.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.035 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.719 HD11 ' CD1' ' A' ' 62' ' ' ILE . 5.5 pt -141.5 156.35 66.83 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.634 0.73 . . . . 0.0 111.133 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.519 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 54.6 Cg_endo -69.78 141.46 45.21 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.611 2.208 . . . . 0.0 112.41 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.402 ' NZ ' ' HG2' ' A' ' 53' ' ' PRO . 5.6 tptt -53.88 -15.1 1.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -78.84 -28.11 44.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.519 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 67.1 m170 -88.52 -19.29 26.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -56.93 -27.1 60.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -85.45 -22.42 28.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -78.85 -13.05 60.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.5 t -96.48 -29.5 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.148 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 16.5 mt -79.15 -33.27 15.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.166 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 34' ' ' LYS . . . 104.4 129.8 6.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.569 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 33' ' ' GLY . 5.6 tmtt? -36.44 -45.36 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.815 0.34 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -98.65 -21.07 16.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 105.79 45.63 1.28 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.47 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -122.02 -16.39 7.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.932 0.396 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.7 tptp -68.61 -29.85 68.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.9 tp -79.63 -48.0 14.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.936 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -63.34 -35.44 80.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -74.32 -31.57 62.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.9 mt -76.26 -52.03 10.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.709 ' HG3' HD12 ' A' ' 50' ' ' ILE . 29.0 mt-10 -51.82 -27.14 11.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 20.5 mt -84.19 -65.77 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -43.6 -33.6 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.409 HG21 ' HB2' ' A' ' 74' ' ' ALA . 18.1 p -100.12 -18.18 17.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.194 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 58.86 37.17 24.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.025 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 63.4 p -112.64 179.1 4.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.179 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -115.05 91.26 3.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.912 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.709 HD12 ' HG3' ' A' ' 43' ' ' GLU . 49.6 mt -80.47 126.92 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.7 tp60 -122.83 112.06 17.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.505 HG23 ' HD2' ' A' ' 53' ' ' PRO . 95.7 mt -101.8 134.35 20.21 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.628 0.728 . . . . 0.0 111.102 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.505 ' HD2' HG23 ' A' ' 52' ' ' ILE . 53.8 Cg_endo -69.79 145.52 57.25 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.651 2.234 . . . . 0.0 112.392 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -49.11 158.84 0.65 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.677 0.751 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -14.61 36.28 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.679 2.253 . . . . 0.0 112.355 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -100.09 -23.32 14.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.421 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 5.5 t70 -69.98 139.88 88.25 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.584 0.707 . . . . 0.0 110.905 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 54.1 Cg_endo -69.82 -0.47 7.02 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.697 2.264 . . . . 0.0 112.314 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.455 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 47.6 m -81.14 120.46 24.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.832 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -120.73 19.34 11.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -110.52 120.5 42.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.719 ' CD1' HD11 ' A' ' 23' ' ' ILE . 43.2 mt -75.05 148.87 7.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -112.71 132.18 55.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.533 ' HB ' HG23 ' A' ' 71' ' ' ILE . 1.1 pt -127.43 116.01 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.173 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.8 m -121.41 140.18 52.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.433 ' H ' HD11 ' A' ' 71' ' ' ILE . . . 158.98 -144.19 10.03 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.434 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 68.2 p -83.07 165.73 19.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.895 0.379 . . . . 0.0 111.111 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -63.74 -25.99 68.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -90.54 -39.44 12.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.73 -53.64 36.74 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.527 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.533 HG23 ' HB ' ' A' ' 64' ' ' ILE . 76.6 mt -56.64 -40.98 72.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 0.0 111.156 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -57.99 -49.48 76.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.8 mttp -54.19 -52.42 61.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.409 ' HB2' HG21 ' A' ' 46' ' ' THR . . . -64.34 -38.33 90.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.4 ttt-85 -64.79 -33.97 77.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.823 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 56.5 t60 -73.44 -39.3 65.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.839 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -71.24 -51.21 25.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.849 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.417 HG11 HG11 ' A' ' 21' ' ' VAL . 5.2 p -56.07 -39.61 59.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.136 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.1 mt -72.88 -42.96 63.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.946 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.3 mt -58.09 -46.15 85.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 36.3 mt -58.47 -56.2 17.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 94.0 p -53.99 -46.1 71.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.813 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.95 -49.28 73.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.065 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -55.49 -32.95 63.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.892 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.503 ' CB ' ' NE2' ' A' ' 27' ' ' HIS . 72.6 mm-40 -66.95 -41.27 87.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -48.81 -54.58 14.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -55.8 -19.13 10.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -91.29 46.36 1.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 66.8 p -98.85 -39.3 8.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -106.84 -158.4 21.41 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.532 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.85 164.14 35.74 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.652 2.235 . . . . 0.0 112.318 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 91.4 p -97.95 167.94 10.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 71.8 m -108.65 128.59 54.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.488 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -117.7 157.56 26.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.916 0.389 . . . . 0.0 110.834 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -152.32 107.96 3.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.867 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.4 -165.44 12.45 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.559 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.8 p -65.42 83.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.908 0.385 . . . . 0.0 110.847 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.4 p -57.05 168.0 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.98 124.35 8.01 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.519 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -154.71 133.28 12.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.799 0.333 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.6 mt -104.51 132.38 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 95.1 t -132.39 117.22 31.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.082 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -143.64 146.25 33.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.038 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -116.6 137.46 52.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.812 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.3 mt -146.78 176.46 9.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -107.69 75.82 1.03 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.9 p -146.4 168.41 21.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -156.18 154.11 30.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.483 ' O ' HD11 ' A' ' 71' ' ' ILE . . . -121.82 167.22 13.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.2 p -146.67 125.43 12.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.816 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.61 172.81 7.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.074 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.526 HG22 ' O ' ' A' ' 62' ' ' ILE . 0.8 OUTLIER -139.06 154.09 48.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.85 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.475 ' CG1' ' HB ' ' A' ' 62' ' ' ILE . 3.3 p -125.71 109.86 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.087 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.69 113.14 6.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.942 HD11 HD12 ' A' ' 62' ' ' ILE . 3.8 pt -146.61 155.26 48.97 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.584 0.707 . . . . 0.0 111.189 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.504 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 54.2 Cg_endo -69.76 142.57 48.28 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.663 2.242 . . . . 0.0 112.446 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.4 mtmm -56.46 -12.98 1.95 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -79.56 -25.11 41.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.504 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 65.4 m170 -89.64 -19.25 25.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -55.9 -36.86 68.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.806 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -61.71 -34.95 76.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -72.82 -10.13 59.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.6 t -102.84 -27.61 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.078 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.521 HG22 ' HA2' ' A' ' 36' ' ' GLY . 22.5 mt -82.93 -36.4 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.423 ' CA ' ' HB2' ' A' ' 38' ' ' LYS . . . 107.85 168.88 21.61 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.522 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.2 tppt? -41.52 -64.02 0.62 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.759 0.314 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -108.53 -29.77 8.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.966 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.521 ' HA2' HG22 ' A' ' 32' ' ' ILE . . . 149.16 46.41 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.48 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -111.38 -46.36 3.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.883 0.373 . . . . 0.0 110.865 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.423 ' HB2' ' CA ' ' A' ' 33' ' ' GLY . 1.7 tmtp? -41.19 -65.51 0.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.7 tp -48.3 -45.16 34.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.942 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -53.75 -52.25 60.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -57.53 -48.04 80.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.4 mt -53.61 -54.17 41.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -48.69 -36.94 17.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 47' ' ' ALA . 11.9 mt -79.46 -66.99 0.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -40.15 -36.25 0.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.425 HG21 ' HB2' ' A' ' 74' ' ' ALA . 22.2 p -101.32 -17.6 16.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.167 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 44' ' ' LEU . . . 59.05 34.5 23.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 74.5 p -111.46 168.26 9.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.154 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.426 ' HD3' ' N ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -102.02 90.02 3.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 73.3 mt -82.45 128.9 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -123.95 111.43 16.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.7 mt -99.82 129.45 28.61 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.564 0.697 . . . . 0.0 111.189 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 144.87 55.36 Favored 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 122.743 2.295 . . . . 0.0 112.387 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.9 mtp180 -52.81 160.36 1.48 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.601 0.715 . . . . 0.0 110.839 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -22.15 32.24 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.593 2.195 . . . . 0.0 112.35 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.2 p30 -90.47 -30.48 17.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.802 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.433 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.5 t70 -62.37 141.15 96.45 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.628 0.728 . . . . 0.0 110.854 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.433 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.8 Cg_endo -69.75 2.99 3.03 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.629 2.22 . . . . 0.0 112.368 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.5 m -91.45 130.68 37.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 -127.78 3.83 6.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -96.3 122.61 39.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.942 HD12 HD11 ' A' ' 23' ' ' ILE . 55.4 mt -78.16 148.46 6.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.3 tttp -111.64 134.42 53.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.609 HD12 ' CG2' ' A' ' 71' ' ' ILE . 1.1 pt -128.81 116.17 39.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.7 m -117.46 143.42 46.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.509 ' H ' HD11 ' A' ' 71' ' ' ILE . . . 153.98 -152.59 24.17 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.608 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 80.1 p -78.07 144.24 36.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.769 0.319 . . . . 0.0 111.162 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -43.79 -23.49 0.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.927 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -89.96 -45.67 9.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -60.31 -52.03 55.17 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.506 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.609 ' CG2' HD12 ' A' ' 64' ' ' ILE . 83.9 mt -56.41 -48.86 79.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.75 0.31 . . . . 0.0 111.116 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -51.25 -52.08 48.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -48.04 -58.17 4.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.425 ' HB2' HG21 ' A' ' 46' ' ' THR . . . -61.91 -34.27 75.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.086 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.847 ' O ' HD12 ' A' ' 79' ' ' LEU . 23.0 ttp180 -67.65 -33.61 75.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 52.2 t60 -76.24 -36.74 58.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.935 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -72.87 -49.71 28.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.44 HG11 HG11 ' A' ' 21' ' ' VAL . 6.5 p -57.21 -34.2 45.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.847 HD12 ' O ' ' A' ' 75' ' ' ARG . 7.4 mt -74.25 -47.16 36.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.423 ' HA ' HD23 ' A' ' 80' ' ' LEU . 11.8 mt -56.04 -48.73 75.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 17.3 mt -58.31 -56.93 13.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 58.0 p -55.25 -48.25 74.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.86 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -48.36 -51.96 23.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.09 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.443 ' CD ' ' HD3' ' A' ' 87' ' ' LYS . 10.2 mm-40 -58.36 -39.13 78.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.951 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.437 ' HB3' ' NE2' ' A' ' 27' ' ' HIS . 79.1 mm-40 -59.29 -28.95 67.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -90.92 -29.84 17.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.827 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.443 ' HD3' ' CD ' ' A' ' 84' ' ' GLU . 10.6 ptmt -74.95 -11.33 60.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.53 -23.0 12.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.2 m -83.34 91.87 7.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.903 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -174.81 -94.59 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.484 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -12.64 33.24 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.747 2.298 . . . . 0.0 112.304 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.3 t -45.45 165.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.806 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 30.5 p -93.83 93.73 8.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.833 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.517 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 m -157.27 139.32 14.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.939 0.4 . . . . 0.0 110.849 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -163.93 107.54 0.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.64 57.63 0.21 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.5 t -99.75 82.11 2.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.903 0.382 . . . . 0.0 110.908 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.1 p -148.31 151.97 36.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.819 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.63 46.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.474 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -81.16 132.66 35.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.812 0.339 . . . . 0.0 110.804 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.5 mm -85.42 136.07 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.4 m -65.5 148.36 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.175 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -146.07 146.66 31.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.067 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -130.83 117.27 19.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.405 HD23 ' H ' ' A' ' 13' ' ' LEU . 1.1 pt? -107.76 142.96 36.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -111.68 -53.98 2.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 21.6 p -70.84 173.79 6.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -111.68 138.56 48.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.445 ' O ' HG23 ' A' ' 65' ' ' THR . . . -112.38 169.51 8.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.2 p -144.75 128.8 17.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.794 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.98 171.03 8.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.123 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -139.1 159.14 42.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.142 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.472 ' CG1' ' HB ' ' A' ' 62' ' ' ILE . 4.1 p -132.32 120.6 43.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.146 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.93 107.17 10.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.077 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.889 HD11 HD12 ' A' ' 62' ' ' ILE . 3.1 pt -139.29 155.47 72.28 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.672 0.749 . . . . 0.0 111.046 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.539 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.8 Cg_endo -69.8 143.78 51.75 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.717 2.278 . . . . 0.0 112.359 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.434 ' HD2' ' CE1' ' A' ' 28' ' ' HIS . 1.2 mmmp? -58.18 -11.56 2.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -83.26 -22.38 33.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.539 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 62.7 m170 -89.94 -28.1 19.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.814 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.434 ' CE1' ' HD2' ' A' ' 25' ' ' LYS . 31.7 m170 -45.78 -46.75 15.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -52.33 -43.87 64.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -61.45 -13.36 19.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.4 t -102.35 -23.32 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 61.2 mt -85.2 -36.79 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.18 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.471 ' CA ' ' HB2' ' A' ' 38' ' ' LYS . . . 111.18 175.82 20.27 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.501 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.7 ttmm -57.31 -58.39 8.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.878 0.371 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -106.69 -28.37 10.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 142.68 54.37 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.491 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.511 ' O ' ' N ' ' A' ' 40' ' ' GLN . 3.0 mt-10 -122.01 -51.07 2.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.882 0.372 . . . . 0.0 110.886 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.471 ' HB2' ' CA ' ' A' ' 33' ' ' GLY . 2.7 tmtp? -35.33 -39.26 0.12 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.4 tp -75.79 -41.92 51.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.511 ' N ' ' O ' ' A' ' 37' ' ' GLU . 5.5 pt20 -63.88 -36.89 85.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -72.79 -40.59 65.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.817 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.427 HD11 ' HE2' ' A' ' 38' ' ' LYS . 12.4 mt -64.08 -49.4 72.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.444 ' HG3' HD12 ' A' ' 50' ' ' ILE . 47.7 mt-10 -54.33 -29.2 47.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.0 mt -84.12 -64.88 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.9 ttpp -45.61 -42.01 10.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.1 p -91.81 -14.36 29.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 54.37 35.83 23.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.113 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 66.0 p -111.89 170.94 7.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.112 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.05 87.76 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.444 HD12 ' HG3' ' A' ' 43' ' ' GLU . 73.4 mt -78.9 130.34 36.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.167 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -130.64 107.63 9.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.469 HG23 ' HD2' ' A' ' 53' ' ' PRO . 37.9 mt -95.1 134.49 24.58 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.62 0.724 . . . . 0.0 111.151 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.469 ' HD2' HG23 ' A' ' 52' ' ' ILE . 53.6 Cg_endo -69.83 143.88 51.92 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.704 2.269 . . . . 0.0 112.27 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 47.6 mtt180 -53.06 159.5 1.91 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.695 0.759 . . . . 0.0 110.771 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 -14.89 36.74 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.692 2.261 . . . . 0.0 112.389 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -97.47 -27.26 14.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.431 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.6 t70 -67.1 141.05 96.15 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.574 0.702 . . . . 0.0 110.925 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.431 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 54.1 Cg_endo -69.77 -4.06 13.27 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.657 2.238 . . . . 0.0 112.358 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.7 m -85.96 125.72 33.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 -121.82 11.83 10.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -100.43 123.75 45.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.889 HD12 HD11 ' A' ' 23' ' ' ILE . 49.6 mt -76.73 148.85 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.064 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -109.61 136.62 48.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.563 ' HB ' HG23 ' A' ' 71' ' ' ILE . 1.1 pt -133.96 120.94 37.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.147 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 17' ' ' ALA . 21.2 m -127.57 142.64 51.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.139 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 155.67 -146.54 14.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.422 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 70' ' ' GLY . 75.8 p -81.54 143.75 31.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.893 0.377 . . . . 0.0 111.128 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 tmmm? -38.46 -35.58 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -80.06 -43.63 21.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 67' ' ' THR . . . -55.85 -60.83 8.2 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.439 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.563 HG23 ' HB ' ' A' ' 64' ' ' ILE . 76.4 mt -52.69 -46.48 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.825 0.345 . . . . 0.0 111.194 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -52.61 -54.99 25.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.9 mttp -47.64 -59.07 3.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.57 -35.6 74.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.132 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.8 ttt180 -68.75 -32.51 72.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.833 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 56.8 t60 -75.58 -33.55 60.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -76.36 -44.84 34.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.421 HG13 ' N ' ' A' ' 79' ' ' LEU . 7.3 p -64.07 -40.72 90.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.14 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.421 ' N ' HG13 ' A' ' 78' ' ' VAL . 13.5 mt -71.11 -41.67 70.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.2 mt -59.16 -48.38 81.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 21.6 mt -59.85 -59.53 3.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.118 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.6 t -48.34 -56.02 9.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -45.62 -54.73 7.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.107 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -49.31 -43.88 43.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.439 ' CB ' ' NE2' ' A' ' 27' ' ' HIS . 58.5 mm-40 -58.27 -45.8 87.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -50.21 -36.27 30.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.3 tptm -95.35 30.67 2.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 89' ' ' SER . 1.6 ptp85 -70.41 -41.04 73.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.423 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 33.9 t -115.83 88.37 2.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -54.83 163.93 3.69 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.437 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -2.98 11.07 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.74 2.294 . . . . 0.0 112.381 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.8 m -39.1 -59.45 1.0 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 63.2 m -89.56 93.15 9.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.25 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.535 -179.892 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.5 p -174.39 118.65 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.331 . . . . 0.0 110.898 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.9 p -162.97 166.2 24.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.26 89.88 1.66 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.562 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.4 m -145.6 107.33 4.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.798 0.333 . . . . 0.0 110.855 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -113.28 155.27 25.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.403 ' C ' ' OD1' ' A' ' 8' ' ' ASP . . . 142.8 163.73 9.85 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.533 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' A' ' 7' ' ' GLY . 2.9 m-20 -155.3 132.81 11.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 0.0 110.86 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.1 mt -77.6 130.9 35.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.096 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.4 m -63.75 150.75 9.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.123 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -103.96 44.44 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.065 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -143.0 160.73 39.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.566 ' H ' HD12 ' A' ' 13' ' ' LEU . 3.3 mp -83.54 105.23 14.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -101.65 136.57 41.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.6 p -48.7 177.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.185 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -101.86 128.71 48.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.46 169.41 10.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.3 p -148.26 120.18 8.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.858 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -115.87 175.01 5.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.062 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 p -139.09 153.84 48.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.149 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.5 ' O ' HG13 ' A' ' 21' ' ' VAL . 5.0 p -128.31 109.83 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.59 113.76 6.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.134 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.835 HD11 HD12 ' A' ' 62' ' ' ILE . 2.8 pt -141.19 155.03 68.32 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.703 0.763 . . . . 0.0 111.066 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.538 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.8 Cg_endo -69.7 147.84 64.13 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.68 2.253 . . . . 0.0 112.396 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.486 ' NZ ' ' ND1' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -61.54 -9.15 5.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -90.85 -12.79 35.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.538 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 54.4 m170 -103.49 -18.79 14.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.828 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.486 ' ND1' ' NZ ' ' A' ' 25' ' ' LYS . 10.2 m170 -54.28 -46.22 72.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -57.44 -43.37 83.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -56.26 -13.6 2.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 40.2 t -97.73 -33.31 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.401 ' C ' ' HB3' ' A' ' 38' ' ' LYS . 56.9 mt -74.46 -39.28 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 114.95 168.6 15.77 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.466 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.9 mmmt -59.12 -49.0 79.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.732 0.301 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -111.51 -20.2 12.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 124.06 47.87 0.23 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -121.37 -22.79 5.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.876 0.369 . . . . 0.0 110.835 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.401 ' HB3' ' C ' ' A' ' 32' ' ' ILE . 39.9 tptt -63.44 -31.67 72.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.1 tp -81.84 -44.23 17.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -63.8 -36.11 82.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -73.91 -36.65 64.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.2 mt -68.48 -53.08 25.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.405 ' HG3' HD12 ' A' ' 50' ' ' ILE . 23.6 mt-10 -51.23 -32.4 23.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 44' ' ' LEU . 16.6 mt -80.33 -62.66 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -46.69 -31.93 3.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.6 p -102.46 -20.75 14.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.232 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 61.52 38.3 15.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 71.0 p -114.68 175.61 5.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.2 tppt? -110.99 87.91 2.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.405 HD12 ' HG3' ' A' ' 43' ' ' GLU . 71.4 mt -77.43 136.19 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.132 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -129.43 114.57 16.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.6 mt -105.32 123.69 38.8 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.598 0.714 . . . . 0.0 111.167 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.496 ' CG ' ' O ' ' A' ' 59' ' ' SER . 53.9 Cg_endo -69.7 142.04 47.1 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.706 2.271 . . . . 0.0 112.381 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 64.4 mtm180 -49.87 158.04 0.96 Allowed Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.631 0.729 . . . . 0.0 110.844 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -14.68 36.38 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.695 2.263 . . . . 0.0 112.296 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -94.52 -25.63 16.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.864 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.429 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 4.9 t70 -69.96 140.57 88.72 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.563 0.697 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.429 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.9 Cg_endo -69.77 2.3 3.66 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.726 2.284 . . . . 0.0 112.374 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.496 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 10.1 m -94.09 114.42 26.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -114.03 20.46 15.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -110.08 120.91 43.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.835 HD12 HD11 ' A' ' 23' ' ' ILE . 53.3 mt -75.02 152.38 6.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.077 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.422 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 35.5 tttt -114.89 132.1 56.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.559 HD12 ' CG2' ' A' ' 71' ' ' ILE . 1.1 pt -127.33 116.72 44.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 47.7 m -120.66 146.51 46.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 152.72 -147.53 17.28 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.463 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 67.6 p -82.23 150.53 27.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.857 0.361 . . . . 0.0 111.165 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? -46.77 -31.51 3.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -83.79 -45.35 13.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -55.68 -59.79 9.95 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.496 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.559 ' CG2' HD12 ' A' ' 64' ' ' ILE . 73.3 mt -52.02 -45.11 40.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 0.0 111.153 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -53.99 -47.83 71.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -58.15 -49.21 77.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.828 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.02 -36.58 84.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.111 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -70.58 -38.82 74.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 53.9 t60 -67.82 -27.11 66.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -83.33 -46.63 12.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.469 HG11 HG11 ' A' ' 21' ' ' VAL . 2.0 p -65.11 -39.93 87.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.433 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 17.3 mt -69.73 -36.6 76.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.05 -49.51 69.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 24.9 mt -60.49 -57.97 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 85.2 p -50.6 -46.17 57.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.62 -51.51 69.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -48.85 -44.25 39.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -59.62 -45.51 91.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -50.19 -47.92 54.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 41.5 tttt -53.9 -42.19 68.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 18.2 mmm-85 -53.23 -43.33 67.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 90.7 p -79.96 122.71 27.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.94 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 128.13 175.49 14.1 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.517 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.88 160.29 50.21 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.682 2.255 . . . . 0.0 112.339 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.4 t -71.44 -53.1 15.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 86.3 p -78.4 134.51 37.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.848 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 179.976 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 3' ' ' SER . 1.4 t -78.78 121.17 24.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.871 0.367 . . . . 0.0 110.832 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 2' ' ' SER . 24.6 m -38.52 -54.24 1.52 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.94 79.77 1.05 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.538 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.8 m -158.21 138.0 12.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.919 0.39 . . . . 0.0 110.833 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.8 p -80.49 170.79 15.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.929 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.85 66.3 0.25 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.501 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -60.52 123.51 17.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.823 0.344 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.2 mm -108.6 130.29 61.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.5 p -168.67 132.15 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.14 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -156.09 165.73 35.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.059 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -80.26 139.83 36.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.1 mt -96.16 114.7 26.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -111.88 -64.84 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.935 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.7 p -79.8 177.17 9.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.172 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.4 mm100 -131.54 133.1 44.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.967 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.7 ' O ' HD11 ' A' ' 71' ' ' ILE . . . -90.61 147.28 23.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.056 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.0 p -139.12 125.62 20.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.792 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.65 -178.85 4.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.106 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 p -139.17 155.64 47.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.573 ' O ' HG13 ' A' ' 21' ' ' VAL . 5.6 p -130.01 94.08 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.093 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.29 112.14 1.03 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.554 HD11 ' CD1' ' A' ' 62' ' ' ILE . 10.9 pt -138.19 155.38 74.28 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.601 0.715 . . . . 0.0 111.123 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.549 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.7 Cg_endo -69.81 150.58 68.11 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.644 2.229 . . . . 0.0 112.39 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -60.86 -9.25 3.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.987 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -90.46 -11.73 39.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.58 ' CD2' ' HG3' ' A' ' 85' ' ' GLN . 62.7 m170 -103.53 -13.43 16.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.779 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -63.74 -37.4 87.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -70.88 -38.37 73.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -61.91 -30.22 70.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.448 HG21 HG23 ' A' ' 78' ' ' VAL . 92.1 t -80.83 -35.87 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.431 ' C ' ' HB3' ' A' ' 38' ' ' LYS . 90.3 mt -72.34 -42.09 65.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.51 148.57 7.9 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.491 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -41.53 -47.39 3.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.789 0.328 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -111.65 -30.84 7.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.401 ' HA2' HG22 ' A' ' 32' ' ' ILE . . . 131.41 47.39 0.12 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.492 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -123.89 -19.89 5.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.939 0.399 . . . . 0.0 110.887 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.431 ' HB3' ' C ' ' A' ' 32' ' ' ILE . 17.6 tptm -62.37 -54.39 41.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.4 tp -51.66 -45.4 63.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -52.06 -59.37 4.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -53.7 -45.87 70.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.6 mt -56.61 -53.73 54.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.835 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 47' ' ' ALA . 20.6 mt-10 -49.1 -41.18 34.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.814 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 47' ' ' ALA . 39.2 mt -74.96 -66.53 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.7 ttpp -40.1 -42.91 1.52 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.412 HG21 ' HB2' ' A' ' 74' ' ' ALA . 24.1 p -92.51 -19.68 21.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 44' ' ' LEU . . . 60.19 34.94 21.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.043 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 76.5 p -111.71 176.45 5.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.117 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.9 mmmt -112.54 85.88 2.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 77.2 mt -74.92 129.35 36.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.064 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -125.56 117.41 23.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 59.3 mt -109.17 130.5 22.66 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.665 0.745 . . . . 0.0 111.097 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.467 ' CB ' ' HB3' ' A' ' 59' ' ' SER . 53.7 Cg_endo -69.8 140.83 43.48 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.716 2.277 . . . . 0.0 112.321 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 53' ' ' PRO . 4.8 mpt_? -36.83 155.66 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.634 0.73 . . . . 0.0 110.846 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -14.32 35.72 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.651 2.234 . . . . 0.0 112.319 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.28 -26.43 15.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.435 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 9.5 t70 -66.21 139.81 96.59 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.574 0.702 . . . . 0.0 110.927 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.435 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.7 Cg_endo -69.76 3.25 2.88 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.723 2.282 . . . . 0.0 112.366 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.467 ' HB3' ' CB ' ' A' ' 53' ' ' PRO . 12.2 t -83.02 124.15 30.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -123.2 18.17 9.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -108.63 117.23 33.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.554 ' CD1' HD11 ' A' ' 23' ' ' ILE . 30.0 mt -75.95 149.19 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -111.77 132.9 54.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.929 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.538 HD12 HG23 ' A' ' 71' ' ' ILE . 1.1 pt -127.08 122.76 60.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 38.0 m -128.62 139.2 52.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.19 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.477 ' H ' HD11 ' A' ' 71' ' ' ILE . . . 157.0 -152.03 23.38 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.493 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 70' ' ' GLY . 69.7 p -80.57 145.81 31.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.847 0.356 . . . . 0.0 111.171 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -38.78 -37.34 0.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -75.23 -44.24 47.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 67' ' ' THR . . . -59.79 -58.96 11.52 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.4 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.7 HD11 ' O ' ' A' ' 17' ' ' ALA . 73.6 mt -55.86 -44.85 79.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 0.0 111.178 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -56.67 -50.09 73.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -55.21 -52.95 61.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.412 ' HB2' HG21 ' A' ' 46' ' ' THR . . . -63.24 -36.9 85.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.091 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.42 ' HA ' HG12 ' A' ' 78' ' ' VAL . 34.8 ttt180 -69.6 -34.29 73.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -74.95 -26.87 59.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -85.62 -46.7 10.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.526 HG13 HG21 ' A' ' 21' ' ' VAL . 9.9 p -62.7 -28.91 45.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 15.0 mt -81.86 -38.5 25.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.6 mt -63.55 -43.18 97.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 27.3 mt -66.66 -52.23 47.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 46.4 p -57.41 -46.45 83.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.03 -56.11 25.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.073 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -43.93 -45.26 7.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.58 ' HG3' ' CD2' ' A' ' 27' ' ' HIS . 55.2 mm-40 -49.96 -51.91 37.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -40.09 -40.8 1.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -74.95 -44.89 45.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.964 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 24.2 mmm-85 -42.71 107.05 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 38.8 t -125.32 156.31 38.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -173.18 -85.4 0.06 OUTLIER Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.476 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.418 ' O ' ' N ' ' A' ' 93' ' ' SER . 53.8 Cg_endo -69.8 -15.28 36.85 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.666 2.244 . . . . 0.0 112.313 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 98.0 p -54.66 88.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.787 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 91' ' ' PRO . 9.3 t -75.68 105.33 6.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.46 -179.987 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.8 p -123.74 148.75 46.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 0.0 110.858 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 t 40.88 42.04 1.37 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.898 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.1 66.35 0.24 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.524 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 m -113.19 160.74 17.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.878 0.371 . . . . 0.0 110.873 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.3 p -106.56 -49.32 3.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.63 -156.63 25.85 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.424 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.7 t70 64.34 40.23 6.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 0.0 110.848 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.632 HD13 ' N ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -49.57 144.01 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.091 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 36.0 m -77.97 -12.7 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.15 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -174.98 154.56 1.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.165 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -74.27 123.67 25.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.5 mt -94.47 -57.4 2.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.933 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 54.57 41.21 32.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.9 m -153.55 147.41 25.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -60.2 152.16 25.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.984 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -120.99 167.64 12.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.199 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m -152.33 137.7 17.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.27 177.06 6.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.136 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -139.18 159.14 42.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.198 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.555 ' O ' HG13 ' A' ' 21' ' ' VAL . 5.7 p -134.53 101.37 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.159 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.25 111.44 2.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.603 HD11 HD12 ' A' ' 62' ' ' ILE . 9.1 pt -140.28 155.55 70.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.705 0.764 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.532 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 54.5 Cg_endo -69.7 145.88 58.84 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.678 2.252 . . . . 0.0 112.367 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.19 -11.41 2.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.919 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -83.14 -21.69 33.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.532 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 66.2 m170 -95.3 -19.61 19.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -56.59 -46.18 80.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -58.96 -35.78 73.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -68.0 -29.18 68.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 66.5 t -78.22 -35.41 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.116 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.417 HG12 ' CD1' ' A' ' 52' ' ' ILE . 73.3 mt -72.55 -44.96 60.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 119.81 147.66 8.03 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.463 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.4 tptt -46.97 -55.08 8.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.359 . . . . 0.0 110.857 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -110.27 11.65 23.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.38 54.39 3.0 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.464 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -129.7 -5.19 4.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.902 0.382 . . . . 0.0 110.916 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.7 tptt -85.53 -43.02 13.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.2 tp -67.54 -49.23 64.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -55.88 -39.94 72.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.985 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -70.04 -45.31 67.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.7 mt -58.82 -52.06 67.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 47' ' ' ALA . 22.3 mt-10 -49.86 -38.22 34.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 25.5 mt -76.64 -64.62 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -44.54 -36.22 2.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.483 HG21 ' HB2' ' A' ' 74' ' ' ALA . 19.6 p -99.01 -16.29 18.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.125 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . 56.85 34.48 24.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.055 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 74.8 p -110.06 174.84 5.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.14 86.11 2.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 78.9 mt -78.71 126.17 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.195 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -123.61 120.16 31.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.417 ' CD1' HG12 ' A' ' 32' ' ' ILE . 56.5 mt -111.17 126.78 28.0 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.591 0.71 . . . . 0.0 111.21 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 143.83 51.96 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.692 2.261 . . . . 0.0 112.335 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -43.64 156.72 0.28 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.528 0.68 . . . . 0.0 110.932 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -8.42 23.57 Favored 'Trans proline' 0 N--CA 1.464 -0.22 0 C-N-CA 122.71 2.273 . . . . 0.0 112.402 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -101.49 -22.43 14.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.424 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.7 t70 -70.58 141.03 87.38 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.579 0.704 . . . . 0.0 110.842 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.5 Cg_endo -69.76 3.04 3.0 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.649 2.233 . . . . 0.0 112.358 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 t -88.43 115.82 26.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -115.84 18.16 15.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -110.85 120.53 42.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.603 HD12 HD11 ' A' ' 23' ' ' ILE . 51.0 mt -77.97 147.9 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.096 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.9 tttp -110.8 130.64 55.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.594 HD12 ' CG2' ' A' ' 71' ' ' ILE . 1.1 pt -124.09 123.32 66.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.2 m -127.25 146.63 50.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 150.05 -150.47 22.53 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.465 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.3 p -77.89 146.31 35.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.878 0.371 . . . . 0.0 111.131 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -40.06 -39.89 0.96 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.4 mp0 -76.57 -43.06 40.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -56.29 -58.19 15.5 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.483 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.594 ' CG2' HD12 ' A' ' 64' ' ' ILE . 80.8 mt -55.09 -52.14 47.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.831 0.348 . . . . 0.0 111.143 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.475 ' OE1' ' CA ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -50.76 -51.51 49.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.1 mttm -51.87 -54.42 29.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.483 ' HB2' HG21 ' A' ' 46' ' ' THR . . . -63.01 -33.39 75.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.147 179.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.568 ' HG3' HD11 ' A' ' 64' ' ' ILE . 11.1 ttt180 -71.54 -34.15 69.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -74.56 -29.8 61.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -82.66 -45.13 14.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.802 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.4 p -64.1 -27.97 43.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.412 HD12 ' O ' ' A' ' 75' ' ' ARG . 13.1 mt -83.52 -42.53 16.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.935 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.5 mt -57.6 -40.03 78.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.6 mt -69.46 -48.41 66.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.2 p -61.51 -42.7 99.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.71 -56.34 20.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.156 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -45.84 -46.7 15.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.526 ' HG3' ' CD2' ' A' ' 27' ' ' HIS . 60.4 mm-40 -49.61 -48.3 49.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -55.74 -43.78 76.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.1 tttm -94.74 30.23 2.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.941 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 89' ' ' SER . 11.0 ptt-85 -54.17 -34.78 61.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.859 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.408 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 3.9 m -131.71 -66.24 0.72 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 101.91 147.91 20.44 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -2.2 9.78 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.597 2.198 . . . . 0.0 112.373 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 20.1 m -129.44 112.0 13.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.839 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 53.3 p -83.12 134.06 35.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.846 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.54 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.7 m -47.7 98.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.925 0.393 . . . . 0.0 110.818 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.5 p -133.49 144.69 49.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.08 47.13 0.52 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.419 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.6 t -166.66 165.91 16.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.864 0.364 . . . . 0.0 110.845 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.3 p -57.23 161.12 3.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.02 128.88 6.41 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -123.74 154.95 38.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.761 0.315 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.575 HD13 ' N ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -53.4 166.61 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.6 t -140.05 106.37 2.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.156 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.52 155.97 13.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.075 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -93.06 99.25 11.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -48.25 164.8 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -126.11 -46.4 1.66 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.1 m -114.95 148.64 38.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -56.69 155.98 6.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.551 ' O ' HD11 ' A' ' 71' ' ' ILE . . . -110.98 160.48 16.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.122 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.1 p -143.65 125.85 15.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -118.35 176.17 5.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.113 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 62' ' ' ILE . 0.8 OUTLIER -139.4 154.69 47.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 -179.897 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.51 ' O ' HG13 ' A' ' 21' ' ' VAL . 4.2 p -128.1 107.51 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.126 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.435 ' HB2' ' NE2' ' A' ' 61' ' ' GLN . . . -66.53 111.92 3.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.847 HD11 HD12 ' A' ' 62' ' ' ILE . 2.8 pt -141.08 156.22 68.22 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 121.591 0.71 . . . . 0.0 111.203 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.543 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 54.0 Cg_endo -69.72 150.92 69.07 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.72 2.28 . . . . 0.0 112.329 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.0 mtmm -67.45 -2.18 5.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -95.21 -21.87 18.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.543 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 58.4 m170 -89.1 -29.37 19.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.809 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -40.65 -47.23 2.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -52.52 -47.05 66.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.422 ' CE1' ' NE2' ' A' ' 85' ' ' GLN . 47.2 m-85 -57.6 -25.09 59.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 41.7 t -83.48 -37.64 13.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 53.0 mt -71.83 -38.88 66.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.216 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.53 177.04 17.46 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.464 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -67.42 -60.56 2.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.792 0.33 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -109.7 11.23 24.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 93.81 53.22 1.82 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -126.37 -29.85 2.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.901 0.381 . . . . 0.0 110.914 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -55.83 -66.71 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.9 tp -48.79 -44.63 39.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -52.27 -56.37 15.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.944 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -59.41 -39.8 84.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.6 mt -60.18 -54.58 44.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.949 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 47' ' ' ALA . 21.4 mt-10 -50.8 -40.18 54.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 28.4 mt -74.23 -65.74 0.81 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -43.63 -40.01 3.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 38.8 p -94.5 -18.99 20.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.207 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . 57.84 33.05 22.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.094 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 81.4 p -109.1 176.16 5.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.081 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.3 mmmt -110.16 89.17 2.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 60.4 mt -84.34 122.11 37.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.134 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -117.54 121.75 41.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 47.3 mt -111.8 123.89 33.63 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.582 0.706 . . . . 0.0 111.161 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 145.7 58.36 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.646 2.231 . . . . 0.0 112.416 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.1 mtp85 -50.28 161.45 0.6 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.646 0.736 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -22.71 31.57 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.671 2.248 . . . . 0.0 112.304 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -89.34 -27.27 20.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.924 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.436 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.4 t70 -62.75 141.43 97.17 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.625 0.726 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.436 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 52.8 Cg_endo -69.81 3.34 2.85 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.656 2.237 . . . . 0.0 112.274 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.8 m -95.76 127.99 42.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.86 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 23' ' ' ILE . 16.2 p-10 -126.41 9.75 7.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.879 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.435 ' NE2' ' HB2' ' A' ' 22' ' ' ALA . 8.4 mt-30 -103.45 122.65 45.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.847 HD12 HD11 ' A' ' 23' ' ' ILE . 45.5 mt -80.2 148.44 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.18 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 46.0 tttt -110.57 133.43 53.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.624 ' HB ' HG23 ' A' ' 71' ' ' ILE . 1.1 pt -127.73 116.7 44.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 39.6 m -123.65 144.42 49.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.445 ' H ' HD11 ' A' ' 71' ' ' ILE . . . 156.25 -145.05 11.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 70' ' ' GLY . 75.9 p -82.45 141.62 32.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.837 0.351 . . . . 0.0 111.161 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.3 tttm -38.06 -34.15 0.11 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -84.5 -41.69 16.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 67' ' ' THR . . . -57.69 -54.37 37.82 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.525 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.624 HG23 ' HB ' ' A' ' 64' ' ' ILE . 72.8 mt -57.44 -52.11 61.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.349 . . . . 0.0 111.151 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -47.96 -52.26 20.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt -50.66 -56.28 12.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.1 -36.68 77.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.09 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.7 ttt180 -67.44 -34.2 76.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 57.6 t60 -74.21 -30.74 62.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -79.13 -45.59 19.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.462 HG11 HG11 ' A' ' 21' ' ' VAL . 3.7 p -63.22 -38.13 81.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.5 mt -71.76 -41.72 68.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.7 mt -58.14 -51.63 68.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 19.8 mt -61.67 -56.27 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 58.9 p -51.34 -46.14 62.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.821 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.12 -54.3 48.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -48.95 -45.4 41.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.422 ' NE2' ' CE1' ' A' ' 30' ' ' PHE . 56.1 mm-40 -61.98 -35.96 80.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -72.65 -22.84 60.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.8 tptp -95.92 29.42 2.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 39.9 mtm180 -85.62 164.55 17.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.91 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.4 t 44.58 40.32 3.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -125.17 -160.64 10.77 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.46 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 132.44 23.25 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.64 2.227 . . . . 0.0 112.389 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.7 p -81.4 43.34 0.73 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.9 t -70.9 142.39 51.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.829 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.226 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.492 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.401 0 N-CA-C 112.576 -0.21 . . . . 0.0 112.576 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 t -133.44 153.12 51.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 110.801 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.6 t -154.47 163.11 40.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.9 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.29 -159.57 8.04 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.488 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.3 m -105.56 136.52 44.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.869 0.366 . . . . 0.0 110.85 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 m -101.22 135.37 42.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.55 67.05 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.537 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -106.18 92.99 4.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.816 0.341 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.2 pt -89.52 153.64 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.515 HG13 ' O ' ' A' ' 10' ' ' VAL . 10.3 p -133.94 119.35 31.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.111 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -160.8 122.79 3.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.0 ttt180 -103.75 162.69 12.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.812 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -131.66 151.03 51.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -85.3 -60.18 2.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.957 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 16' ' ' GLN . 13.1 t -151.24 162.98 39.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.119 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 15' ' ' THR . 45.4 mt-30 -36.29 152.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.444 ' O ' HD11 ' A' ' 71' ' ' ILE . . . -111.11 160.96 16.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.069 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 p -144.94 117.75 8.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.08 169.51 8.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.142 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 p -139.1 153.02 47.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.154 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.462 ' O ' HG13 ' A' ' 21' ' ' VAL . 4.4 p -130.05 113.77 27.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.32 115.01 11.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.862 HD11 HD12 ' A' ' 62' ' ' ILE . 3.8 pt -142.47 157.01 63.44 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.617 0.722 . . . . 0.0 111.155 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.541 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 53.9 Cg_endo -69.66 144.07 53.41 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.731 2.287 . . . . 0.0 112.352 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.1 tptp -54.13 -14.89 1.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.855 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -78.8 -28.09 44.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.541 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 64.9 m170 -89.58 -13.56 36.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.412 ' ND1' HG23 ' A' ' 52' ' ' ILE . 5.8 m-70 -66.27 -36.05 81.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -73.45 -26.04 60.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -75.39 -21.23 58.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 27' ' ' HIS . 95.8 t -85.54 -35.86 10.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.17 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.412 ' C ' ' HB3' ' A' ' 38' ' ' LYS . 66.1 mt -69.42 -37.76 75.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 113.43 160.05 13.81 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.44 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -58.15 -56.12 26.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.827 0.346 . . . . 0.0 110.957 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -97.24 -8.51 29.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 106.07 46.95 1.12 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.511 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 40' ' ' GLN . 1.9 mm-40 -120.71 -44.18 2.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.852 0.358 . . . . 0.0 110.903 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 37' ' ' GLU . 18.1 tptp -35.96 -33.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 37' ' ' GLU . 9.1 tp -85.28 -40.77 16.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.967 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 37' ' ' GLU . 3.9 pt20 -63.24 -32.97 74.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -79.75 -32.06 41.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.507 HD23 ' NZ ' ' A' ' 45' ' ' LYS . 9.8 mt -71.02 -56.23 6.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -49.35 -28.15 4.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.4 mt -86.36 -64.81 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.507 ' NZ ' HD23 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -45.52 -42.87 11.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.807 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 19.7 p -90.16 -21.64 22.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 63.01 39.63 9.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.164 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 71.5 p -117.34 177.23 4.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -115.07 87.73 2.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 32.4 mt -78.99 126.97 39.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -122.16 113.14 19.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.635 HG23 ' HD2' ' A' ' 53' ' ' PRO . 59.5 mt -97.45 138.29 21.13 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.62 0.724 . . . . 0.0 111.152 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.635 ' HD2' HG23 ' A' ' 52' ' ' ILE . 53.9 Cg_endo -69.76 152.6 69.35 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.643 2.229 . . . . 0.0 112.36 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -63.52 155.62 74.72 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.593 0.711 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.62 -6.91 19.66 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.753 2.302 . . . . 0.0 112.401 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.65 -12.19 14.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.414 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 2.2 t70 -86.13 140.4 34.69 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.606 0.717 . . . . 0.0 110.855 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.414 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 52.7 Cg_endo -69.83 3.11 3.0 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.728 2.285 . . . . 0.0 112.247 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.496 ' O ' ' CG ' ' A' ' 53' ' ' PRO . 6.0 m -91.84 119.37 31.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -120.79 27.61 8.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -112.92 119.56 38.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.947 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.862 HD12 HD11 ' A' ' 23' ' ' ILE . 52.3 mt -74.24 147.69 8.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.03 128.31 56.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.787 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.68 ' HB ' HG23 ' A' ' 71' ' ' ILE . 1.0 OUTLIER -119.07 115.32 47.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.119 179.835 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.7 m -114.09 142.0 46.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.179 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.448 ' H ' HD11 ' A' ' 71' ' ' ILE . . . 153.92 -154.33 25.44 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.526 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 55.5 p -80.08 145.16 32.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.864 0.364 . . . . 0.0 111.154 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.0 tptt -40.53 -36.98 0.64 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -76.91 -45.68 27.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -59.6 -59.61 10.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.562 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.68 HG23 ' HB ' ' A' ' 64' ' ' ILE . 71.9 mt -50.58 -40.54 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.808 0.337 . . . . 0.0 111.121 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -58.08 -51.06 71.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -51.59 -51.02 58.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.55 -36.78 83.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.052 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.451 ' O ' HD12 ' A' ' 79' ' ' LEU . 28.0 ttt180 -65.24 -32.21 73.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -76.36 -45.25 32.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -63.85 -45.09 91.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.3 p -65.68 -36.32 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.171 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.454 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 9.1 mt -74.33 -36.06 63.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.93 -47.83 73.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 50.3 mt -63.17 -57.15 13.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.183 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.5 m -58.33 -34.69 70.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.807 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 79' ' ' LEU . . . -64.76 -46.3 82.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.064 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -54.11 -43.17 70.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.423 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 36.6 mm-40 -57.36 -49.08 77.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -49.36 -40.52 35.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.846 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.8 ttmm -91.38 30.65 1.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.86 -23.66 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.3 t -140.22 134.65 31.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -167.16 168.95 40.71 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.458 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 157.18 61.18 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.673 2.249 . . . . 0.0 112.373 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.6 t -87.22 166.72 14.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 40.8 t -107.06 130.65 54.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.95 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.502 -179.956 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m -166.34 163.47 17.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 0.0 110.859 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.0 p -149.63 165.09 33.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.86 -105.75 0.22 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.455 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m 61.8 48.95 5.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.752 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.8 t -164.37 130.48 2.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.818 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.68 177.53 36.59 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.456 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -118.81 154.74 32.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.704 0.288 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.6 mt -68.11 130.61 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 92.7 t -126.93 121.05 57.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.64 89.99 0.74 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.088 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -115.12 155.55 26.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.6 mt -79.55 110.16 14.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -133.43 150.56 51.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.9 p -73.37 -177.19 2.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.165 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -48.99 153.46 0.88 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.404 ' O ' HG23 ' A' ' 65' ' ' THR . . . -117.66 155.32 30.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.076 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 p -146.72 121.66 10.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.839 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -118.32 172.9 7.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.078 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.1 p -139.06 155.57 47.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.481 HG13 ' HB ' ' A' ' 62' ' ' ILE . 2.6 p -131.29 105.25 10.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.091 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.58 ' HB2' ' NE2' ' A' ' 61' ' ' GLN . . . -65.79 116.76 7.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.698 HD11 HD12 ' A' ' 62' ' ' ILE . 5.9 pt -144.93 156.01 55.43 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.643 0.735 . . . . 0.0 111.065 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.552 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 54.1 Cg_endo -69.76 150.11 67.78 Favored 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.74 2.294 . . . . 0.0 112.379 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.407 ' HE2' ' CE1' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -61.66 -9.96 7.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.915 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.453 ' CG ' ' HB2' ' A' ' 24' ' ' PRO . 0.9 OUTLIER -88.97 -12.48 41.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.575 ' CE1' ' HB2' ' A' ' 85' ' ' GLN . 62.8 m170 -104.42 -13.15 16.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.407 ' CE1' ' HE2' ' A' ' 25' ' ' LYS . 14.9 m170 -62.45 -46.94 86.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.862 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.447 ' HG3' ' N ' ' A' ' 30' ' ' PHE . 7.7 ptp180 -58.39 -39.07 78.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.447 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 15.0 m-85 -60.18 -28.17 67.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.4 HG21 HG23 ' A' ' 78' ' ' VAL . 87.4 t -85.3 -27.74 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.062 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.457 HG12 ' CD1' ' A' ' 52' ' ' ILE . 97.6 mt -79.49 -47.29 22.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 34' ' ' LYS . . . 122.96 140.25 5.66 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 33' ' ' GLY . 12.2 ptmt -35.38 -47.33 0.42 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.787 0.327 . . . . 0.0 110.895 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -111.23 -31.45 7.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.44 42.14 0.2 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.547 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -111.59 -37.94 5.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.947 0.403 . . . . 0.0 110.885 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.413 ' HE3' HD11 ' A' ' 42' ' ' LEU . 49.7 tptt -47.77 -66.87 0.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 tp -40.89 -46.21 2.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.879 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -54.91 -59.57 4.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -51.5 -40.27 59.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.422 ' O ' HG23 ' A' ' 46' ' ' THR . 12.8 mt -64.91 -52.9 53.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 47' ' ' ALA . 24.7 mt-10 -50.46 -37.04 36.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.8 mt -78.94 -61.93 1.86 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -48.8 -30.88 6.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.427 HG21 ' HB2' ' A' ' 74' ' ' ALA . 10.4 p -104.35 -15.65 15.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . 54.57 33.92 20.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 71.6 p -110.53 172.71 6.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.12 82.04 1.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.932 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 67.2 mt -71.74 126.36 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.7 tp60 -124.59 115.22 20.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.474 HG23 ' HD2' ' A' ' 53' ' ' PRO . 33.2 mt -102.75 134.4 19.89 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.598 0.714 . . . . 0.0 111.172 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.474 ' HD2' HG23 ' A' ' 52' ' ' ILE . 55.2 Cg_endo -69.68 145.52 57.88 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.705 2.27 . . . . 0.0 112.404 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 48.1 mtt-85 -51.8 157.92 1.82 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.547 0.689 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -13.69 34.99 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.642 2.228 . . . . 0.0 112.313 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.58 -24.0 14.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.434 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 4.3 t70 -64.85 141.29 98.31 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.57 0.7 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.434 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.8 Cg_endo -69.79 -1.15 8.01 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.687 2.258 . . . . 0.0 112.312 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.3 m -96.46 124.03 40.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -120.86 24.76 10.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.58 ' NE2' ' HB2' ' A' ' 22' ' ' ALA . 6.6 mt-30 -109.29 124.91 51.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.698 HD12 HD11 ' A' ' 23' ' ' ILE . 53.5 mt -77.71 148.37 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.195 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -112.29 133.86 54.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.585 ' HB ' HG23 ' A' ' 71' ' ' ILE . 1.1 pt -128.55 119.21 49.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 17' ' ' ALA . 30.6 m -127.9 143.43 51.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.475 ' H ' HD11 ' A' ' 71' ' ' ILE . . . 158.0 -136.26 4.72 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.507 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 37.4 p -86.89 170.55 11.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.847 0.356 . . . . 0.0 111.181 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp -69.25 -25.5 64.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -93.76 -35.9 12.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.5 -52.87 35.79 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.503 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.585 HG23 ' HB ' ' A' ' 64' ' ' ILE . 72.3 mt -58.02 -47.26 87.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 0.0 111.177 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -53.19 -45.53 68.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -58.31 -52.64 64.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.427 ' HB2' HG21 ' A' ' 46' ' ' THR . . . -63.62 -34.73 78.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.412 ' HA ' HG12 ' A' ' 78' ' ' VAL . 22.4 ttp85 -69.95 -35.59 74.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 56.3 t60 -73.69 -33.61 64.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -77.66 -44.62 27.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.412 HG12 ' HA ' ' A' ' 75' ' ' ARG . 9.4 p -65.5 -31.25 53.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.7 mt -79.97 -40.56 27.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.3 mt -60.98 -41.58 96.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 24.6 mt -66.94 -51.82 50.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 63.4 p -57.45 -45.14 85.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.65 -52.02 63.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -48.27 -46.49 35.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.575 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 73.0 mm-40 -56.05 -52.28 64.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -41.86 -46.78 4.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -67.14 -43.96 81.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.948 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -63.69 131.48 48.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.7 m -139.27 109.8 6.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 134.64 86.2 0.24 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.524 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.73 -26.1 28.04 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.714 2.276 . . . . 0.0 112.321 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 84.6 p -42.41 -47.43 4.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 50.1 m -71.58 131.14 42.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.506 179.984 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -137.87 144.8 41.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.91 0.386 . . . . 0.0 110.849 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.7 p -164.51 161.58 21.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.871 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.57 151.37 21.55 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.524 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.1 m -154.62 120.25 5.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.821 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -120.53 152.6 37.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.36 77.66 0.16 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -111.14 114.6 27.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.752 0.31 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.62 HG22 ' O ' ' A' ' 9' ' ' ILE . 11.2 mt 60.49 40.42 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.434 ' O ' HG12 ' A' ' 10' ' ' VAL . 40.3 t -90.0 -11.64 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.146 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -146.02 130.21 17.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.1 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 31.6 ttp180 -114.89 107.33 15.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.4 mt -125.13 103.01 7.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.974 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.5 tp60 -46.86 -45.37 20.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 56.3 p -60.02 174.99 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.454 ' NE2' ' HA2' ' A' ' 66' ' ' GLY . 32.5 mt-30 -130.32 162.42 29.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -104.85 161.11 14.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.1 p -146.26 132.39 19.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.905 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.07 172.4 11.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.483 HG22 ' O ' ' A' ' 62' ' ' ILE . 1.2 p -139.18 155.47 47.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.467 ' O ' HG13 ' A' ' 21' ' ' VAL . 3.6 p -128.62 110.38 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.53 112.27 4.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.841 HD11 HD12 ' A' ' 62' ' ' ILE . 3.5 pt -140.37 156.54 69.65 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.64 0.733 . . . . 0.0 111.109 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.536 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 54.0 Cg_endo -69.74 149.9 67.62 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.685 2.257 . . . . 0.0 112.375 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -65.0 -6.01 7.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.473 ' CG ' ' HB2' ' A' ' 24' ' ' PRO . 1.3 pt-20 -92.53 -16.81 25.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.567 ' CE1' ' HB2' ' A' ' 85' ' ' GLN . 63.1 m170 -100.28 -14.36 18.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 5.8 m170 -58.36 -51.92 67.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -48.64 -47.09 40.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -53.71 -26.27 22.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.6 t -80.94 -37.6 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.153 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -68.59 -43.66 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.05 172.81 14.56 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.475 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -59.01 -63.36 1.33 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.753 0.311 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -110.78 11.27 22.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 94.14 49.46 2.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.478 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -122.74 -25.69 4.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.933 0.397 . . . . 0.0 110.896 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.411 ' NZ ' HD11 ' A' ' 81' ' ' ILE . 23.7 tptm -62.28 -66.69 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.6 tp -42.95 -48.11 5.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -52.17 -56.72 12.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -54.77 -47.22 74.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.407 ' CD1' ' HE2' ' A' ' 38' ' ' LYS . 12.3 mt -56.58 -52.27 65.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -50.25 -40.08 46.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 47' ' ' ALA . 30.6 mt -76.9 -67.01 0.75 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -42.51 -40.01 2.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.8 p -94.06 -16.48 23.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 44' ' ' LEU . . . 54.91 42.28 31.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 75.7 p -118.04 175.58 5.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.07 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -110.76 87.73 2.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 68.3 mt -82.37 115.15 24.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.144 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -112.81 113.03 24.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.576 HG23 ' HD2' ' A' ' 53' ' ' PRO . 82.6 mt -100.84 136.22 19.86 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.629 0.728 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.576 ' HD2' HG23 ' A' ' 52' ' ' ILE . 53.7 Cg_endo -69.76 158.9 55.37 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.327 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -64.55 158.44 67.18 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.626 0.727 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -4.94 15.01 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.678 2.252 . . . . 0.0 112.375 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -117.67 -10.11 10.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.421 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.6 t70 -76.02 140.84 70.48 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.608 0.718 . . . . 0.0 110.855 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 57' ' ' ASP . 53.2 Cg_endo -69.78 1.04 4.81 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.647 2.231 . . . . 0.0 112.319 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.2 m -93.38 122.14 35.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 -119.12 17.34 13.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -107.78 120.24 41.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.841 HD12 HD11 ' A' ' 23' ' ' ILE . 42.2 mt -76.25 151.41 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.08 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.414 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 1.8 ttmp? -113.29 136.63 52.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.481 ' HB ' HG23 ' A' ' 71' ' ' ILE . 1.1 pt -131.66 122.18 49.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.084 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.1 m -127.47 144.74 51.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.129 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.454 ' HA2' ' NE2' ' A' ' 16' ' ' GLN . . . 151.78 -154.69 25.71 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.446 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 70' ' ' GLY . 1.0 OUTLIER -76.5 143.36 40.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.829 0.347 . . . . 0.0 111.203 -179.871 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -41.58 -31.4 0.27 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -80.79 -38.67 28.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 67' ' ' THR . . . -67.09 -53.59 25.53 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.483 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.481 HG23 ' HB ' ' A' ' 64' ' ' ILE . 69.4 mt -57.23 -41.36 77.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.797 0.332 . . . . 0.0 111.074 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -57.02 -50.24 73.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -53.81 -57.15 11.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.25 -37.05 76.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.0 ttt-85 -67.33 -38.43 84.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 22.6 t60 -71.66 -31.89 67.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.798 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -78.3 -49.13 14.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.436 HG11 HG11 ' A' ' 21' ' ' VAL . 5.3 p -60.46 -35.17 61.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.5 mt -75.57 -40.03 57.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.8 mt -63.4 -40.69 97.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.97 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.411 HD11 ' NZ ' ' A' ' 38' ' ' LYS . 54.7 mt -66.5 -55.5 18.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 90.2 p -54.64 -44.7 73.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.18 -55.73 30.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.079 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -42.96 -47.27 5.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.567 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 70.9 mm-40 -55.31 -50.11 70.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.94 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -54.96 -49.35 71.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.06 -53.54 55.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.435 ' HB3' ' NH1' ' A' ' 88' ' ' ARG . 15.5 mtp-105 -73.43 124.58 26.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 64.9 p -138.11 116.67 12.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 70.81 -113.79 4.97 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.407 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 144.49 54.19 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.258 . . . . 0.0 112.351 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 87.1 p -84.82 106.66 16.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 62.6 p -111.8 96.01 5.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.512 179.968 . . . . . . . . 0 0 . 1 stop_ save_